4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid

C13H9Cl2FN2O2 — CID 22677524

IUPAC4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1cc(F)c(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c1-5-2-8(16)6(3-7(5)14)10-4-9(17)11(15)12(18-10)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyXEWHVTFINVUOMT-UHFFFAOYSA-N
MW315.13 g/mol
LogP3.78
Rot. Bonds2

About 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid

4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 22677524) has the molecular formula C13H9Cl2FN2O2 and a molecular weight of 315.13 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
PubChem CID22677524
Molecular FormulaC13H9Cl2FN2O2
Molecular Weight315.13 g/mol
Exact Mass314.00
IUPAC Name4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1cc(F)c(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1Cl
InChIInChI=1S/C13H9Cl2FN2O2/c1-5-2-8(16)6(3-7(5)14)10-4-9(17)11(15)12(18-10)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyXEWHVTFINVUOMT-UHFFFAOYSA-N
XLogP3.78
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
CID 67420302
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 67420246
4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
CID 150425792
4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid
CID 68599860
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(2-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69177481
4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677250
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69130474
methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
CID 68600303
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863
4-amino-3-chloro-6-(8,9-difluoro-2,4-dioxabicyclo[3.2.2]nona-1(8),5(9),6-trien-6-yl)pyridine-2-carboxylic acid
CID 22677304

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid (CID 22677524) is 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid is Cc1cc(F)c(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is XEWHVTFINVUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2/c1-5-2-8(16)6(3-7(5)14)10-4-9(17)11(15)12(18-10)13(19)20/h2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 315.13 g/mol, XLogP of 3.78, 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-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 22677524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).