3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine

C14H11Cl2FN2 — CID 135291908

IUPAC3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine
SMILESC=Cc1nc(-c2ccc(Cl)c(C)c2F)cc(N)c1Cl
InChIInChI=1S/C14H11Cl2FN2/c1-3-11-13(16)10(18)6-12(19-11)8-4-5-9(15)7(2)14(8)17/h3-6H,1H2,2H3,(H2,18,19)
InChIKeyXTZVUHUISNTOGN-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.73
Rot. Bonds2

About 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine

3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine (PubChem CID 135291908) has the molecular formula C14H11Cl2FN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine
PubChem CID135291908
Molecular FormulaC14H11Cl2FN2
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine
SMILESC=Cc1nc(-c2ccc(Cl)c(C)c2F)cc(N)c1Cl
InChIInChI=1S/C14H11Cl2FN2/c1-3-11-13(16)10(18)6-12(19-11)8-4-5-9(15)7(2)14(8)17/h3-6H,1H2,2H3,(H2,18,19)
InChIKeyXTZVUHUISNTOGN-UHFFFAOYSA-N
XLogP4.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine?
The IUPAC name of 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine (CID 135291908) is 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine.
What is the SMILES notation for 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine?
The canonical SMILES for 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine is C=Cc1nc(-c2ccc(Cl)c(C)c2F)cc(N)c1Cl.
What is the InChIKey of 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine?
The InChIKey is XTZVUHUISNTOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2/c1-3-11-13(16)10(18)6-12(19-11)8-4-5-9(15)7(2)14(8)17/h3-6H,1H2,2H3,(H2,18,19).
What are the key properties of 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine?
3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine has a molecular weight of 297.16 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)-2-ethenylpyridin-4-amine is sourced from PubChem (CID 135291908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).