4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid

C14H11FN2O3 — CID 104638128

IUPAC4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-5-6-12(16-8-11)13(18)17-7-9-1-3-10(4-2-9)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)
InChIKeyZBMXTTSPFDFTSA-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.85
Rot. Bonds4

About 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid

4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 104638128) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
PubChem CID104638128
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C14H11FN2O3/c15-11-5-6-12(16-8-11)13(18)17-7-9-1-3-10(4-2-9)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)
InChIKeyZBMXTTSPFDFTSA-UHFFFAOYSA-N
XLogP1.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104638318
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid (CID 104638128) is 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is ZBMXTTSPFDFTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-5-6-12(16-8-11)13(18)17-7-9-1-3-10(4-2-9)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid?
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 274.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 104638128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).