1,6-Naphthyridine-2-carboxylic acid

HCID 735908CAS 197507-59-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc2cnccc2n1
InChIKey: OZZMWXQJCJUCEJ-UHFFFAOYSA-N
Molecular formula: C9H6N2O2
Average molar mass: 174.16 g/mol
Monoisotopic mass: 174.04292743

Names & identifiers

Preferred name: 1,6-Naphthyridine-2-carboxylic acid
IUPAC: 1,6-naphthyridine-2-carboxylic acid
English name: 1,6-Naphthyridine-2-carboxylic acid
Molecular formula: C9H6N2O2
Molecular weight: 174.16

Names & synonyms

1,6-Naphthyridine-2-carboxylic acid197507-59-8DTXSID00352879RefChem:221632DTXCID60303943674-417-71,6-Naphthyridine-2-carboxylicacid[1,6]naphthyridine-2-carboxylic acidMFCD00202908Peakdale1_000097CS-D01762-[1,6]naphthyridinecarboxylic acid

Show more names

1,6-naphthyridine-2-carboxylate2-Carboxy-1,6-naphthyridine1,6phthyridine-2-carboxylic acid1,6-Naphthyridine-2-carboxylic acid 95+%

EN300-252879Z12016197321,6-NaphtFT-0643841SCHEMBL1016413SCHEMBL1502050HMS518E09AC-951

Database identifiers

CAS: 197507-59-8
PubChem CID: 735908
DTXSID: DTXSID00352879
EC Number: 674-417-7
Nikkaji: J1.413.115I

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 63.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 208

Physicochemical properties

Melting point: 290 · 290
Boiling point: 385.8 · 385.8±27.0 °C(Predicted)
Density: 1.421 · 1.421±0.06 g/cm3(Predicted)
Flash point: 187 °C · 187 °C
storage temp.: 2 · 2-8°C
pka: 3.77 · 3.77±0.30(Predicted)
Appearance: White to light brown Solid
CAS DataBase Reference: 197507 · 197507-59-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2933998090
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26
Hazard statements: H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

8-Bromo-1,6-naphthyridine-2-carboxylic acid

Suppliers50 total

宁波振岳医药科技有限公司19817745290 · [email protected]

上海策嵘生物科技有限公司[email protected]

上海皓竹医药科技有限公司18912729622 · [email protected]

安特希（苏州）生物科技有限公司19951207836

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

91 records

New reaction record

HRID 107278As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 139324As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150629As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 157495As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 171158As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 192525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 204348As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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