2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid

C15H13FN2O3 — CID 114289600

IUPAC2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccn1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H13FN2O3/c16-11-5-3-6-12(14(11)15(20)21)18-13(19)8-7-10-4-1-2-9-17-10/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
InChIKeyVBEVHXMOLXNRKB-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.49
Rot. Bonds5

About 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid

2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid (PubChem CID 114289600) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
PubChem CID114289600
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
SMILESO=C(CCc1ccccn1)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H13FN2O3/c16-11-5-3-6-12(14(11)15(20)21)18-13(19)8-7-10-4-1-2-9-17-10/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
InChIKeyVBEVHXMOLXNRKB-UHFFFAOYSA-N
XLogP2.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43442825
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CID 110389270
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(6-acetamido-2-pyridinyl)-3-pyridin-2-ylpropanamide
CID 101146103
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid (CID 114289600) is 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid is O=C(CCc1ccccn1)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid?
The InChIKey is VBEVHXMOLXNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-5-3-6-12(14(11)15(20)21)18-13(19)8-7-10-4-1-2-9-17-10/h1-6,9H,7-8H2,(H,18,19)(H,20,21).
What are the key properties of 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid?
2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid has a molecular weight of 288.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 114289600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).