6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid

C13H11FN2O2 — CID 141046051

IUPAC6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCF)nc1-c1ccccc1
InChIInChI=1S/C13H11FN2O2/c14-8-15-11-7-6-10(13(17)18)12(16-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyREMURDUTMWXRRG-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.79
Rot. Bonds4

About 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid

6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid (PubChem CID 141046051) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid
PubChem CID141046051
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NCF)nc1-c1ccccc1
InChIInChI=1S/C13H11FN2O2/c14-8-15-11-7-6-10(13(17)18)12(16-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyREMURDUTMWXRRG-UHFFFAOYSA-N
XLogP2.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride
CID 70408017
4-phenyltriazine-5-carboxylic acid
CID 141099391
N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
CID 66717184
CID 66717184
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
4-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 163349835
2-(dimethylamino)-5-methyl-6-phenylpyridine-3-carboxylic acid
CID 82120489
1-tert-butyl-3-phenylpyrazole-4-carboxylic acid
CID 39095963
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493380

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid?
The IUPAC name of 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid (CID 141046051) is 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid is O=C(O)c1ccc(NCF)nc1-c1ccccc1.
What is the InChIKey of 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid?
The InChIKey is REMURDUTMWXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-8-15-11-7-6-10(13(17)18)12(16-11)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)(H,17,18).
What are the key properties of 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid?
6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethylamino)-2-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 141046051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).