5-Amino-2-methoxypyridine-4-carboxylic acid

HCID 2762507CAS 183741-91-5
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C(=O)O)c(N)cn1
InChIKey
BFYPMZJYCXUXFW-UHFFFAOYSA-N
Molecular formula
C7H8N2O3
Average molar mass
168.15 g/mol
Monoisotopic mass
168.05349212

Names & identifiers

Preferred name
5-Amino-2-methoxypyridine-4-carboxylic acid
IUPAC
5-amino-2-methoxypyridine-4-carboxylic acid
English name
5-AMINO-2-METHOXY-ISONICOTINIC ACID
Molecular formula
C7H8N2O3
Molecular weight
168.15

Names & synonyms

183741-91-55-amino-2-methoxypyridine-4-carboxylic acid5-AMINO-2-METHOXYISONICOTINIC ACID5-Amino-2-methoxy-isonicotinic acidMFCD034117195-Amino-2-methoxypyridine-4-carboxylicacid4-Pyridinecarboxylic acid, 5-amino-2-methoxy-AKOS006282149AC-93714-Pyridinecarboxylicacid,5-amino-2-methoxy-EN300-64984385-amino-2-methoxy-pyridine-4-carboxylic Acid
Show more names
5-Amino-2-methoxy-isonicotinic acid ,97%5-amino-2-methoxypyridine-4-carboxylicaci5-Amino-2-methoxypyridine-4-carboxylic acid ,97%5-AMINO-2-METHOXY-ISONICOTINIC ACID ISO 9001：2015 REACH
BFYPMFT-0600716SCHEMBL2002960SCHEMBL29589415DTXSID20376274BFYPMZJYCXUXFW-UHFFFAOYSA-NFA51593PB30757

Database identifiers

CAS
183741-91-5
PubChem CID
2762507
DTXSID
DTXSID20376274
EC Number
803-234-9
Nikkaji
J763.335A

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
85.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
217 · 217-221℃
Boiling point
469.5 · 469.5±45.0 °C(Predicted)
Density
1.384 · 1.384
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
5.31 · 5.31±0.10(Predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
29339900
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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