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

C14H11Cl2FN2O3 — CID 150425792

IUPAC4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(C)c(Cl)cc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C14H11Cl2FN2O3/c1-5-7(15)3-6(11(17)13(5)22-2)9-4-8(18)10(16)12(19-9)14(20)21/h3-4H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyHISNJQYPINKBTM-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.79
Rot. Bonds3

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

4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 150425792) has the molecular formula C14H11Cl2FN2O3 and a molecular weight of 345.16 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
PubChem CID150425792
Molecular FormulaC14H11Cl2FN2O3
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid
SMILESCOc1c(C)c(Cl)cc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIInChI=1S/C14H11Cl2FN2O3/c1-5-7(15)3-6(11(17)13(5)22-2)9-4-8(18)10(16)12(19-9)14(20)21/h3-4H,1-2H3,(H2,18,19)(H,20,21)
InChIKeyHISNJQYPINKBTM-UHFFFAOYSA-N
XLogP3.79
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 67420246
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-(5-chloro-2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 22677524
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-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
4-amino-3-chloro-6-(4-chloro-3-methoxy-2-prop-1-en-2-ylphenyl)pyridine-2-carboxylic acid
CID 123983131
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-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-fluoroprop-2-enoxy)ethanone
CID 158247389
4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(3-fluoropropyl)phenyl]pyridine-2-carboxylic acid
CID 69130474
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
CID 148662657

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid (CID 150425792) is 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid is COc1c(C)c(Cl)cc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.
What is the InChIKey of 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is HISNJQYPINKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O3/c1-5-7(15)3-6(11(17)13(5)22-2)9-4-8(18)10(16)12(19-9)14(20)21/h3-4H,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 345.16 g/mol, XLogP of 3.79, 3 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-(5-chloro-2-fluoro-3-methoxy-4-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 150425792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).