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

C15H15FN2O2 — CID 62711491

IUPAC2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-10-5-6-13(15(19)20)14(18-10)17-8-7-11-3-2-4-12(16)9-11/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYYQIWIDPDPLMHW-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.88
Rot. Bonds5

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

2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 62711491) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID62711491
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2O2/c1-10-5-6-13(15(19)20)14(18-10)17-8-7-11-3-2-4-12(16)9-11/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyYYQIWIDPDPLMHW-UHFFFAOYSA-N
XLogP2.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 62711491) is 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is YYQIWIDPDPLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-5-6-13(15(19)20)14(18-10)17-8-7-11-3-2-4-12(16)9-11/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 62711491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).