6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid

C13H10N2O4 — CID 82556241

IUPAC6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)ccc1-c1cccc(C(=O)O)c1
InChIInChI=1S/C13H10N2O4/c14-11-9(4-5-10(15-11)13(18)19)7-2-1-3-8(6-7)12(16)17/h1-6H,(H2,14,15)(H,16,17)(H,18,19)
InChIKeyGJCGAFQPZJCBSY-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.73
Rot. Bonds3

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

6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid (PubChem CID 82556241) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid
PubChem CID82556241
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid
SMILESNc1nc(C(=O)O)ccc1-c1cccc(C(=O)O)c1
InChIInChI=1S/C13H10N2O4/c14-11-9(4-5-10(15-11)13(18)19)7-2-1-3-8(6-7)12(16)17/h1-6H,(H2,14,15)(H,16,17)(H,18,19)
InChIKeyGJCGAFQPZJCBSY-UHFFFAOYSA-N
XLogP1.73
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 82556225
3-(4,6-diamino-1,3,5-triazin-2-yl)benzoic acid
CID 139724485
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 53223177
3-(3-amino-2-hydroxyphenyl)benzoic acid;hydrobromide
CID 57483789
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
3-(2-aminoquinazolin-6-yl)benzoic acid
CID 58829166
3-(5-amino-2-phenylpyrimidin-4-yl)benzoic acid
CID 174517025
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-(3-sulfanylnaphthalen-2-yl)benzoic acid
CID 69007314
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
3-[3-(3-carboxyphenyl)-6-chloroquinoxalin-2-yl]benzoic acid
CID 139724557

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid (CID 82556241) is 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid is Nc1nc(C(=O)O)ccc1-c1cccc(C(=O)O)c1.
What is the InChIKey of 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is GJCGAFQPZJCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c14-11-9(4-5-10(15-11)13(18)19)7-2-1-3-8(6-7)12(16)17/h1-6H,(H2,14,15)(H,16,17)(H,18,19).
What are the key properties of 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid?
6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82556241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).