6-Iodopyridine-3-carboxylic acid

HCID 819062

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 13054-02-9
Standard SMILES: O=C(O)c1ccc(I)nc1
InChIKey: PCGJGRDGMJRQAJ-UHFFFAOYSA-N
Molecular formula: C6H4INO2
Average molar mass: 249.01 g/mol
Monoisotopic mass: 248.92867637

Names & identifiers

Preferred name: 6-Iodopyridine-3-carboxylic acid
IUPAC: 6-iodopyridine-3-carboxylic acid
English name: 6-Iodopyridine-3-carboxylic acid
Molecular formula: C6H4INO2
Molecular weight: 249.01

Names & synonyms

6-iodopyridine-3-carboxylic acidRefChem:543479897-619-96-Iodonicotinic acid13054-02-96-iodo-nicotinic acid3-Pyridinecarboxylic acid, 6-iodo-MFCD034269246-Iodonicotinicacid6Iodo-nicotinic acidAI-942/25121064SCHEMBL565986

Show more names

6-iodopyridine-3-carboxylic acid - [K82252]

2-iodopyridine-5-carboxylic acidDTXSID10356040PCGJGRDGMJRQAJ-UHFFFAOYSA-N6-iodo-pyridine-3-carboxylic acidNAA05402ZB0186BS-53033SY310699

Database identifiers

CAS: 13054-02-9
PubChem CID: 819062
DTXSID: DTXSID10356040
EC Number: 897-619-9
Nikkaji: J2.563.727E

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 189 · 189-190 °C(Solv: water (7732-18-5))
Boiling point: 355.2 · 355.2±27.0 °C(Predicted)
Density: 2.123 · 2.123±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 3.29 · 3.29±0.10(Predicted)
color: Light Beige to Beige
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H315-H319-H335
Precautionary statements: 262 · P262-P280-P301+P310-P304+P340-P305+P351+P338-P310
RIDADR: 2811 · UN2811
HazardClass: 6.1 · 6.1
HS Code: 2933399990 · 2933399990
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr: UN2811
hs_code: 2933399990
Signal word: Danger
Symbol(GHS): GHS06
hazard_class: 6.1
Hazard statements: H301-H311-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P262-P280-P301+P310-P304+P340-P305+P351+P338-P310