2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid

C15H15FN2O2 — CID 61003365

IUPAC2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-9-6-10(2)18-14(13(9)15(19)20)17-8-11-4-3-5-12(16)7-11/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyODWLJSNSDPKPJH-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.15
Rot. Bonds4

About 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid

2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 61003365) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID61003365
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NCc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-9-6-10(2)18-14(13(9)15(19)20)17-8-11-4-3-5-12(16)7-11/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyODWLJSNSDPKPJH-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid (CID 61003365) is 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NCc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ODWLJSNSDPKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-6-10(2)18-14(13(9)15(19)20)17-8-11-4-3-5-12(16)7-11/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid?
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 61003365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).