6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid

C14H11FN2O4 — CID 53229574

IUPAC6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(F)cc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C14H11FN2O4/c1-21-14(20)8-4-7(5-9(15)6-8)10-2-3-11(16)17-12(10)13(18)19/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyFGNSNJZRSJWUMF-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.95
Rot. Bonds3

About 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid

6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid (PubChem CID 53229574) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid
PubChem CID53229574
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(F)cc(-c2ccc(N)nc2C(=O)O)c1
InChIInChI=1S/C14H11FN2O4/c1-21-14(20)8-4-7(5-9(15)6-8)10-2-3-11(16)17-12(10)13(18)19/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyFGNSNJZRSJWUMF-UHFFFAOYSA-N
XLogP1.95
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-(3-chloro-5-fluorophenyl)pyridine-2-carboxylic acid
CID 53229415
5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53229622
6-amino-3-(3,4-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53229467
3-fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)benzoic acid
CID 53227934
methyl 3-(4-bromo-3-chloro-2-fluorophenyl)-5-fluorobenzoate
CID 106763136
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
methyl 3,5-difluorobenzoate
CID 2775360
6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 53229212
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53229349
4-(3-fluoro-5-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228002

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid (CID 53229574) is 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid is COC(=O)c1cc(F)cc(-c2ccc(N)nc2C(=O)O)c1.
What is the InChIKey of 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
The InChIKey is FGNSNJZRSJWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-14(20)8-4-7(5-9(15)6-8)10-2-3-11(16)17-12(10)13(18)19/h2-6H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid?
6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid has a molecular weight of 290.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-fluoro-5-methoxycarbonylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).