4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid

C15H14ClFN2O3 — CID 163642311

IUPAC4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(C)F)cc2)nc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C15H14ClFN2O3/c1-7-12(18)11(16)14(15(20)21)19-13(7)9-3-5-10(6-4-9)22-8(2)17/h3-6,8H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyIFHXBGFAGLEZHH-UHFFFAOYSA-N
MW324.74 g/mol
LogP3.69
Rot. Bonds4

About 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid

4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid (PubChem CID 163642311) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
PubChem CID163642311
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(C)F)cc2)nc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C15H14ClFN2O3/c1-7-12(18)11(16)14(15(20)21)19-13(7)9-3-5-10(6-4-9)22-8(2)17/h3-6,8H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyIFHXBGFAGLEZHH-UHFFFAOYSA-N
XLogP3.69
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-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 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid (CID 163642311) is 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid is Cc1c(-c2ccc(OC(C)F)cc2)nc(C(=O)O)c(Cl)c1N.
What is the InChIKey of 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
The InChIKey is IFHXBGFAGLEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c1-7-12(18)11(16)14(15(20)21)19-13(7)9-3-5-10(6-4-9)22-8(2)17/h3-6,8H,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid has a molecular weight of 324.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 163642311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).