5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid

C12H9FN2O2 — CID 84726572

IUPAC5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-2-7(4-8)10-5-9(14)6-15-11(10)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyHNCQRYZYRKABOK-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.17
Rot. Bonds2

About 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid

5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 84726572) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID84726572
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1cnc(C(=O)O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C12H9FN2O2/c13-8-3-1-2-7(4-8)10-5-9(14)6-15-11(10)12(16)17/h1-6H,14H2,(H,16,17)
InChIKeyHNCQRYZYRKABOK-UHFFFAOYSA-N
XLogP2.17
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
4-(3-fluorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 154345358
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
6-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251336
1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176580025
4-fluoro-3-(3-fluorophenyl)aniline
CID 46312186
5-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250700
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 70981008
5-aminopyridine-2,3-dicarboxylic acid
CID 71695342
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
3-(2,5-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 90044045
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid (CID 84726572) is 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid is Nc1cnc(C(=O)O)c(-c2cccc(F)c2)c1.
What is the InChIKey of 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is HNCQRYZYRKABOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-8-3-1-2-7(4-8)10-5-9(14)6-15-11(10)12(16)17/h1-6H,14H2,(H,16,17).
What are the key properties of 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid?
5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 84726572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).