6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid

C18H19F2NO2 — CID 59487437

IUPAC6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid
SMILESCCc1nc(-c2cc(F)cc(F)c2)cc(CC(C)C)c1C(=O)O
InChIInChI=1S/C18H19F2NO2/c1-4-15-17(18(22)23)12(5-10(2)3)8-16(21-15)11-6-13(19)9-14(20)7-11/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKeyZQBDVQDCITZEJK-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.49
Rot. Bonds5

About 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid

6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid (PubChem CID 59487437) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid
PubChem CID59487437
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid
SMILESCCc1nc(-c2cc(F)cc(F)c2)cc(CC(C)C)c1C(=O)O
InChIInChI=1S/C18H19F2NO2/c1-4-15-17(18(22)23)12(5-10(2)3)8-16(21-15)11-6-13(19)9-14(20)7-11/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKeyZQBDVQDCITZEJK-UHFFFAOYSA-N
XLogP4.49
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid (CID 59487437) is 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid is CCc1nc(-c2cc(F)cc(F)c2)cc(CC(C)C)c1C(=O)O.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid?
The InChIKey is ZQBDVQDCITZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-4-15-17(18(22)23)12(5-10(2)3)8-16(21-15)11-6-13(19)9-14(20)7-11/h6-10H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid?
6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid has a molecular weight of 319.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-ethyl-4-(2-methylpropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 59487437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).