2-(3-chloro-3-phenylpropyl)pyrazine

C13H13ClN2 — CID 64508691

IUPAC2-(3-chloro-3-phenylpropyl)pyrazine
SMILESClC(CCc1cnccn1)c1ccccc1
InChIInChI=1S/C13H13ClN2/c14-13(11-4-2-1-3-5-11)7-6-12-10-15-8-9-16-12/h1-5,8-10,13H,6-7H2
InChIKeyZHVDHSZAQWCYOO-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-chloro-3-phenylpropyl)pyrazine

2-(3-chloro-3-phenylpropyl)pyrazine (PubChem CID 64508691) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(3-chloro-3-phenylpropyl)pyrazine.

Molecular Properties

Compound Name2-(3-chloro-3-phenylpropyl)pyrazine
PubChem CID64508691
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-(3-chloro-3-phenylpropyl)pyrazine
SMILESClC(CCc1cnccn1)c1ccccc1
InChIInChI=1S/C13H13ClN2/c14-13(11-4-2-1-3-5-11)7-6-12-10-15-8-9-16-12/h1-5,8-10,13H,6-7H2
InChIKeyZHVDHSZAQWCYOO-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
2-(4-chlorobutyl)pyrazine
CID 54142215
(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
CID 64508912
3-(1,5-dichloropentyl)pyridine
CID 19894703
(2R)-N-methyl-4-phenylsulfanyl-N-(pyrazin-2-ylmethyl)butan-2-amine
CID 99818984
2-(3-chloro-3-phenylpropyl)-1,3-difluorobenzene
CID 64506677
N-[(4-chlorophenyl)-phenylmethyl]-2-pyrazin-2-ylacetamide
CID 119052114
2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
CID 81024221
6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole
CID 113289290
benzyl 4-pyrazin-2-ylbutanoate
CID 134574078

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-3-phenylpropyl)pyrazine?
The IUPAC name of 2-(3-chloro-3-phenylpropyl)pyrazine (CID 64508691) is 2-(3-chloro-3-phenylpropyl)pyrazine.
What is the SMILES notation for 2-(3-chloro-3-phenylpropyl)pyrazine?
The canonical SMILES for 2-(3-chloro-3-phenylpropyl)pyrazine is ClC(CCc1cnccn1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-3-phenylpropyl)pyrazine?
The InChIKey is ZHVDHSZAQWCYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-13(11-4-2-1-3-5-11)7-6-12-10-15-8-9-16-12/h1-5,8-10,13H,6-7H2.
What are the key properties of 2-(3-chloro-3-phenylpropyl)pyrazine?
2-(3-chloro-3-phenylpropyl)pyrazine has a molecular weight of 232.71 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-3-phenylpropyl)pyrazine is sourced from PubChem (CID 64508691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).