5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid

C13H9F2N3O3 — CID 63157578

IUPAC5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESO=C(Nc1cncc(C(=O)O)c1)Nc1cccc(F)c1F
InChIInChI=1S/C13H9F2N3O3/c14-9-2-1-3-10(11(9)15)18-13(21)17-8-4-7(12(19)20)5-16-6-8/h1-6H,(H,19,20)(H2,17,18,21)
InChIKeyWCAOMEXGYOLNNO-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.70
Rot. Bonds3

About 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid

5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63157578) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID63157578
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
SMILESO=C(Nc1cncc(C(=O)O)c1)Nc1cccc(F)c1F
InChIInChI=1S/C13H9F2N3O3/c14-9-2-1-3-10(11(9)15)18-13(21)17-8-4-7(12(19)20)5-16-6-8/h1-6H,(H,19,20)(H2,17,18,21)
InChIKeyWCAOMEXGYOLNNO-UHFFFAOYSA-N
XLogP2.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090
5-[(5-fluoro-2-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158221
5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 82535068
3-[(2,3,4-trifluorophenyl)carbamoylamino]benzoic acid
CID 108892424
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158172
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid (CID 63157578) is 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid is O=C(Nc1cncc(C(=O)O)c1)Nc1cccc(F)c1F.
What is the InChIKey of 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is WCAOMEXGYOLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-9-2-1-3-10(11(9)15)18-13(21)17-8-4-7(12(19)20)5-16-6-8/h1-6H,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 293.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).