3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid

C13H10FN3O3 — CID 104741384

IUPAC3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESNc1cccnc1C(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H10FN3O3/c14-8-4-3-7(13(19)20)6-10(8)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)(H,19,20)
InChIKeySMMCXFIMEGAPMK-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.75
Rot. Bonds3

About 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid

3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid (PubChem CID 104741384) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
PubChem CID104741384
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESNc1cccnc1C(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H10FN3O3/c14-8-4-3-7(13(19)20)6-10(8)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)(H,19,20)
InChIKeySMMCXFIMEGAPMK-UHFFFAOYSA-N
XLogP1.75
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 63189731
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149
3-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104742636

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid (CID 104741384) is 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid is Nc1cccnc1C(=O)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is SMMCXFIMEGAPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-8-4-3-7(13(19)20)6-10(8)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)(H,19,20).
What are the key properties of 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 275.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 104741384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).