5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid

C14H13FN2O2 — CID 51356960

IUPAC5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)cc(-c2ccc(F)cc2)c1CN
InChIInChI=1S/C14H13FN2O2/c1-8-12(7-16)11(6-13(17-8)14(18)19)9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3,(H,18,19)
InChIKeyTUOJEDMYQJQONA-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.35
Rot. Bonds3

About 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid

5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 51356960) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid
PubChem CID51356960
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)cc(-c2ccc(F)cc2)c1CN
InChIInChI=1S/C14H13FN2O2/c1-8-12(7-16)11(6-13(17-8)14(18)19)9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3,(H,18,19)
InChIKeyTUOJEDMYQJQONA-UHFFFAOYSA-N
XLogP2.35
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid (CID 51356960) is 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)cc(-c2ccc(F)cc2)c1CN.
What is the InChIKey of 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is TUOJEDMYQJQONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-12(7-16)11(6-13(17-8)14(18)19)9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3,(H,18,19).
What are the key properties of 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid?
5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 51356960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).