3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid

C17H13F3N4O2 — CID 174729012

IUPAC3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cnc(-c2ccc(-c3nc(C(=O)O)c(N)cc3C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C17H13F3N4O2/c1-8-7-22-15(23-8)10-4-2-9(3-5-10)13-11(17(18,19)20)6-12(21)14(24-13)16(25)26/h2-7H,21H2,1H3,(H,22,23)(H,25,26)
InChIKeyGEBHRCNUBBXDDS-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.75
Rot. Bonds3

About 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 174729012) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID174729012
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCc1cnc(-c2ccc(-c3nc(C(=O)O)c(N)cc3C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C17H13F3N4O2/c1-8-7-22-15(23-8)10-4-2-9(3-5-10)13-11(17(18,19)20)6-12(21)14(24-13)16(25)26/h2-7H,21H2,1H3,(H,22,23)(H,25,26)
InChIKeyGEBHRCNUBBXDDS-UHFFFAOYSA-N
XLogP3.75
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-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 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 174729012) is 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid is Cc1cnc(-c2ccc(-c3nc(C(=O)O)c(N)cc3C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is GEBHRCNUBBXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-8-7-22-15(23-8)10-4-2-9(3-5-10)13-11(17(18,19)20)6-12(21)14(24-13)16(25)26/h2-7H,21H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 362.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 174729012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).