4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine

C14H11Cl2N — CID 118211241

IUPAC4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cnc(-c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C14H11Cl2N/c1-9(2)12-8-17-14(7-13(12)16)10-4-3-5-11(15)6-10/h3-8H,1H2,2H3
InChIKeyJMQHBXIWZWQSCT-UHFFFAOYSA-N
MW264.16 g/mol
LogP5.09
Rot. Bonds2

About 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine

4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine (PubChem CID 118211241) has the molecular formula C14H11Cl2N and a molecular weight of 264.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine
PubChem CID118211241
Molecular FormulaC14H11Cl2N
Molecular Weight264.16 g/mol
Exact Mass263.03
IUPAC Name4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cnc(-c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C14H11Cl2N/c1-9(2)12-8-17-14(7-13(12)16)10-4-3-5-11(15)6-10/h3-8H,1H2,2H3
InChIKeyJMQHBXIWZWQSCT-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.16
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?
The IUPAC name of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine (CID 118211241) is 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine is C=C(C)c1cnc(-c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?
The InChIKey is JMQHBXIWZWQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N/c1-9(2)12-8-17-14(7-13(12)16)10-4-3-5-11(15)6-10/h3-8H,1H2,2H3.
What are the key properties of 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine?
4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine has a molecular weight of 264.16 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chlorophenyl)-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 118211241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).