2-(1-chloro-2-phenylethenyl)pyrimidine

C12H9ClN2 — CID 175308372

IUPAC2-(1-chloro-2-phenylethenyl)pyrimidine
SMILESClC(=Cc1ccccc1)c1ncccn1
InChIInChI=1S/C12H9ClN2/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-9H
InChIKeyLNALJGYBNSRDMI-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.21
Rot. Bonds2

About 2-(1-chloro-2-phenylethenyl)pyrimidine

2-(1-chloro-2-phenylethenyl)pyrimidine (PubChem CID 175308372) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-(1-chloro-2-phenylethenyl)pyrimidine.

Molecular Properties

Compound Name2-(1-chloro-2-phenylethenyl)pyrimidine
PubChem CID175308372
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name2-(1-chloro-2-phenylethenyl)pyrimidine
SMILESClC(=Cc1ccccc1)c1ncccn1
InChIInChI=1S/C12H9ClN2/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-9H
InChIKeyLNALJGYBNSRDMI-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-1-chloro-2-phenylethenyl]quinazolin-4-amine
CID 17412554
(E)-2-phenyl-1-pyridin-2-ylethenol
CID 23039790
2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine
CID 87146074
1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine
CID 5024735
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine
CID 18763166
N-[(Z)-2-chloro-3-phenylprop-2-enyl]pyridine-2-carboxamide
CID 139125511
N-[(Z)-2-chloro-3-phenylprop-2-enyl]pyridine-2-carboxamide
CID 139125512
4-(1-chloro-2-phenylethenyl)-N-methylaniline
CID 54059464
2-[(E)-1,2-dichloroethenyl]pyridine
CID 146396959
(2-chloro-3,3-difluoroprop-1-enyl)benzene
CID 175913510

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-phenylethenyl)pyrimidine?
The IUPAC name of 2-(1-chloro-2-phenylethenyl)pyrimidine (CID 175308372) is 2-(1-chloro-2-phenylethenyl)pyrimidine.
What is the SMILES notation for 2-(1-chloro-2-phenylethenyl)pyrimidine?
The canonical SMILES for 2-(1-chloro-2-phenylethenyl)pyrimidine is ClC(=Cc1ccccc1)c1ncccn1.
What is the InChIKey of 2-(1-chloro-2-phenylethenyl)pyrimidine?
The InChIKey is LNALJGYBNSRDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c13-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-(1-chloro-2-phenylethenyl)pyrimidine?
2-(1-chloro-2-phenylethenyl)pyrimidine has a molecular weight of 216.67 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-phenylethenyl)pyrimidine is sourced from PubChem (CID 175308372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).