6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid

C14H9Cl2FN2O4 — CID 90457967

IUPAC6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
SMILESCOC(=O)c1cc(N)c(Cl)c(-c2ccc(Cl)c(F)c2C(=O)O)n1
InChIInChI=1S/C14H9Cl2FN2O4/c1-23-14(22)8-4-7(18)10(16)12(19-8)5-2-3-6(15)11(17)9(5)13(20)21/h2-4H,1H3,(H2,18,19)(H,20,21)
InChIKeyFMXUZJKSYRRUEP-UHFFFAOYSA-N
MW359.14 g/mol
LogP3.26
Rot. Bonds3

About 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid

6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid (PubChem CID 90457967) has the molecular formula C14H9Cl2FN2O4 and a molecular weight of 359.14 g/mol. Its IUPAC name is 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid.

Molecular Properties

Compound Name6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
PubChem CID90457967
Molecular FormulaC14H9Cl2FN2O4
Molecular Weight359.14 g/mol
Exact Mass357.99
IUPAC Name6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
SMILESCOC(=O)c1cc(N)c(Cl)c(-c2ccc(Cl)c(F)c2C(=O)O)n1
InChIInChI=1S/C14H9Cl2FN2O4/c1-23-14(22)8-4-7(18)10(16)12(19-8)5-2-3-6(15)11(17)9(5)13(20)21/h2-4H,1H3,(H2,18,19)(H,20,21)
InChIKeyFMXUZJKSYRRUEP-UHFFFAOYSA-N
XLogP3.26
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic 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-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid?
The IUPAC name of 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid (CID 90457967) is 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid.
What is the SMILES notation for 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid?
The canonical SMILES for 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid is COC(=O)c1cc(N)c(Cl)c(-c2ccc(Cl)c(F)c2C(=O)O)n1.
What is the InChIKey of 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid?
The InChIKey is FMXUZJKSYRRUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O4/c1-23-14(22)8-4-7(18)10(16)12(19-8)5-2-3-6(15)11(17)9(5)13(20)21/h2-4H,1H3,(H2,18,19)(H,20,21).
What are the key properties of 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid?
6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid has a molecular weight of 359.14 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid is sourced from PubChem (CID 90457967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).