2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid

C15H15FN2O2 — CID 62703512

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-10-6-7-13(15(19)20)14(17-10)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyLQVYMABOIQRPSR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.86
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid

2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 62703512) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID62703512
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-10-6-7-13(15(19)20)14(17-10)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyLQVYMABOIQRPSR-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)methyl-methylamino]pyridazine-4-carboxylic acid
CID 80517596
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
4-bromo-2-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 43364770
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
2-[(3-fluorophenyl)methyl-methylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61175772
4-[(3-fluorophenyl)methyl-methylamino]-3-methylbenzoic acid
CID 62121477
5-fluoro-2-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 63289360
2-[benzyl(propan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 62702835
6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62701330
5-amino-3-chloro-2-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 107193614
2-[2-[(3-fluorophenyl)methyl-methylamino]ethyl]benzoic acid
CID 104548693

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid (CID 62703512) is 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is LQVYMABOIQRPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-6-7-13(15(19)20)14(17-10)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid?
2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62703512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).