3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid

C14H10F2N2O3 — CID 104739842

IUPAC3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c15-9-4-3-8(6-10(9)16)7-12(19)18-11-2-1-5-17-13(11)14(20)21/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyJRPZUFMVSIXZPS-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.24
Rot. Bonds4

About 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid

3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 104739842) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID104739842
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c15-9-4-3-8(6-10(9)16)7-12(19)18-11-2-1-5-17-13(11)14(20)21/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyJRPZUFMVSIXZPS-UHFFFAOYSA-N
XLogP2.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
CID 104739616
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114304849
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid (CID 104739842) is 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cc1ccc(F)c(F)c1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JRPZUFMVSIXZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c15-9-4-3-8(6-10(9)16)7-12(19)18-11-2-1-5-17-13(11)14(20)21/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).