6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid

C13H10FN3O3 — CID 63643427

IUPAC6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O3/c14-8-4-1-2-5-9(8)16-13(20)17-11-7-3-6-10(15-11)12(18)19/h1-7H,(H,18,19)(H2,15,16,17,20)
InChIKeyLOACNWHUNLMCBB-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.56
Rot. Bonds3

About 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid

6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 63643427) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID63643427
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O3/c14-8-4-1-2-5-9(8)16-13(20)17-11-7-3-6-10(15-11)12(18)19/h1-7H,(H,18,19)(H2,15,16,17,20)
InChIKeyLOACNWHUNLMCBB-UHFFFAOYSA-N
XLogP2.56
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-quinolin-2-ylurea
CID 2812960
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130
3-[(2-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 62947575
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
6-(2-fluoro-5-methylanilino)pyridine-2-carboxylic acid
CID 62254300
6-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 63641670
1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea
CID 65098951
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
CID 10691756

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 63643427) is 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid is O=C(Nc1cccc(C(=O)O)n1)Nc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is LOACNWHUNLMCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-8-4-1-2-5-9(8)16-13(20)17-11-7-3-6-10(15-11)12(18)19/h1-7H,(H,18,19)(H2,15,16,17,20).
What are the key properties of 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid?
6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 275.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).