2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine

C14H12ClN — CID 18763102

IUPAC2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
SMILESC/C(=C\c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C14H12ClN/c1-11(14-7-2-3-8-16-14)9-12-5-4-6-13(15)10-12/h2-10H,1H3/b11-9+
InChIKeyZPWOJLZZENFTPQ-PKNBQFBNSA-N
MW229.71 g/mol
LogP4.30
Rot. Bonds2

About 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine

2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine (PubChem CID 18763102) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine.

Molecular Properties

Compound Name2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
PubChem CID18763102
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine
SMILESC/C(=C\c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C14H12ClN/c1-11(14-7-2-3-8-16-14)9-12-5-4-6-13(15)10-12/h2-10H,1H3/b11-9+
InChIKeyZPWOJLZZENFTPQ-PKNBQFBNSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-2-pyridin-2-ylprop-2-enoic acid
CID 145381861
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(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
1-chloro-3-[(E)-2-methylpent-1-enyl]benzene
CID 174941626
ethane;1-methyl-5-phenyltetrazole;2-[(E)-1-phenylprop-1-en-2-yl]pyridine
CID 159478755
(E)-2-phenyl-1-pyridin-2-ylethenol
CID 23039790
3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
3-[(E)-3-oxo-2-pyridin-2-ylbut-1-enyl]benzonitrile
CID 67851267
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine?
The IUPAC name of 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine (CID 18763102) is 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine.
What is the SMILES notation for 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine?
The canonical SMILES for 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine is C/C(=C\c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine?
The InChIKey is ZPWOJLZZENFTPQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H12ClN/c1-11(14-7-2-3-8-16-14)9-12-5-4-6-13(15)10-12/h2-10H,1H3/b11-9+.
What are the key properties of 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine?
2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine has a molecular weight of 229.71 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(3-chlorophenyl)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 18763102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).