2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid

C13H9FN2O3 — CID 63977827

IUPAC2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(F)nc1
InChIInChI=1S/C13H9FN2O3/c14-11-6-5-8(7-15-11)12(17)16-10-4-2-1-3-9(10)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyBDHDPDAEDZWGLP-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.17
Rot. Bonds3

About 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid

2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid (PubChem CID 63977827) has the molecular formula C13H9FN2O3 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid
PubChem CID63977827
Molecular FormulaC13H9FN2O3
Molecular Weight260.22 g/mol
Exact Mass260.06
IUPAC Name2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(F)nc1
InChIInChI=1S/C13H9FN2O3/c14-11-6-5-8(7-15-11)12(17)16-10-4-2-1-3-9(10)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyBDHDPDAEDZWGLP-UHFFFAOYSA-N
XLogP2.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
5-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 15121186
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-[[4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]benzoic acid
CID 126822242
6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 63980510
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
2-[(6-bromopyridine-3-carbonyl)amino]-5-fluorobenzoic acid
CID 66468619
N-(2,6-dibromophenyl)-6-fluoropyridine-3-carboxamide
CID 107598690
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-(2,1,3-benzoselenadiazole-5-carbonylamino)benzoic acid
CID 17313158

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid (CID 63977827) is 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(F)nc1.
What is the InChIKey of 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is BDHDPDAEDZWGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O3/c14-11-6-5-8(7-15-11)12(17)16-10-4-2-1-3-9(10)13(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid?
2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 260.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63977827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).