4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid

C15H12ClFN2O3 — CID 25220935

IUPAC4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid
SMILESC=Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O
InChIInChI=1S/C15H12ClFN2O3/c1-3-7-10(18)6-11(19-13(7)15(20)21)8-4-5-9(16)14(22-2)12(8)17/h3-6H,1H2,2H3,(H2,18,19)(H,20,21)
InChIKeyIMTGSDMDSGINAI-UHFFFAOYSA-N
MW322.72 g/mol
LogP3.47
Rot. Bonds4

About 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid

4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid (PubChem CID 25220935) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid
PubChem CID25220935
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid
SMILESC=Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O
InChIInChI=1S/C15H12ClFN2O3/c1-3-7-10(18)6-11(19-13(7)15(20)21)8-4-5-9(16)14(22-2)12(8)17/h3-6H,1H2,2H3,(H2,18,19)(H,20,21)
InChIKeyIMTGSDMDSGINAI-UHFFFAOYSA-N
XLogP3.47
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid (CID 25220935) is 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid is C=Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O.
What is the InChIKey of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid?
The InChIKey is IMTGSDMDSGINAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c1-3-7-10(18)6-11(19-13(7)15(20)21)8-4-5-9(16)14(22-2)12(8)17/h3-6H,1H2,2H3,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid?
4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid has a molecular weight of 322.72 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-3-ethenylpyridine-2-carboxylic acid is sourced from PubChem (CID 25220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).