6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid

C13H10F2N2O2 — CID 82122308

IUPAC6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(-c2cc(F)ccc2F)ccc1C(=O)O
InChIInChI=1S/C13H10F2N2O2/c1-16-12-8(13(18)19)3-5-11(17-12)9-6-7(14)2-4-10(9)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyBGJAQHFTBUMOKX-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.77
Rot. Bonds3

About 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid

6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid (PubChem CID 82122308) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
PubChem CID82122308
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nc(-c2cc(F)ccc2F)ccc1C(=O)O
InChIInChI=1S/C13H10F2N2O2/c1-16-12-8(13(18)19)3-5-11(17-12)9-6-7(14)2-4-10(9)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyBGJAQHFTBUMOKX-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
4-(2,5-difluorophenyl)pyrimidine-2-carboxylic acid
CID 83919048
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carboxylic acid
CID 82124982
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
4-amino-2-(2,5-difluorophenyl)benzoic acid
CID 176681877
3-(2,5-difluorophenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61264329
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
CID 82123790
2-bromo-6-(2,5-difluorophenyl)pyridine-4-carboxylic acid
CID 83235231
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one
CID 116972104

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid (CID 82122308) is 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid is CNc1nc(-c2cc(F)ccc2F)ccc1C(=O)O.
What is the InChIKey of 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is BGJAQHFTBUMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-16-12-8(13(18)19)3-5-11(17-12)9-6-7(14)2-4-10(9)15/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82122308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).