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

C13H9F2N3O3 — CID 104740538

IUPAC3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H9F2N3O3/c14-7-3-4-9(8(15)6-7)17-13(21)18-10-2-1-5-16-11(10)12(19)20/h1-6H,(H,19,20)(H2,17,18,21)
InChIKeyPLMSYEJHWUYFQY-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.70
Rot. Bonds3

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

3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104740538) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104740538
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1F)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H9F2N3O3/c14-7-3-4-9(8(15)6-7)17-13(21)18-10-2-1-5-16-11(10)12(19)20/h1-6H,(H,19,20)(H2,17,18,21)
InChIKeyPLMSYEJHWUYFQY-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

3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 104740538) is 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid is O=C(Nc1ccc(F)cc1F)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is PLMSYEJHWUYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-7-3-4-9(8(15)6-7)17-13(21)18-10-2-1-5-16-11(10)12(19)20/h1-6H,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-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 3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).