4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid

C12H7Cl2FN2O2 — CID 22677438

IUPAC4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)c(F)c2)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-6-2-1-5(3-7(6)15)9-4-8(16)10(14)11(17-9)12(18)19/h1-4H,(H2,16,17)(H,18,19)
InChIKeyOAMAVDBNCZXVPB-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.47
Rot. Bonds2

About 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid

4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid (PubChem CID 22677438) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
PubChem CID22677438
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(Cl)c(F)c2)nc(C(=O)O)c1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-6-2-1-5(3-7(6)15)9-4-8(16)10(14)11(17-9)12(18)19/h1-4H,(H2,16,17)(H,18,19)
InChIKeyOAMAVDBNCZXVPB-UHFFFAOYSA-N
XLogP3.47
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid (CID 22677438) is 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid is Nc1cc(-c2ccc(Cl)c(F)c2)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid?
The InChIKey is OAMAVDBNCZXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-6-2-1-5(3-7(6)15)9-4-8(16)10(14)11(17-9)12(18)19/h1-4H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid has a molecular weight of 301.10 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 22677438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).