2-(2-chloropentan-3-yl)pyrazine

C9H13ClN2 — CID 63203167

IUPAC2-(2-chloropentan-3-yl)pyrazine
SMILESCCC(c1cnccn1)C(C)Cl
InChIInChI=1S/C9H13ClN2/c1-3-8(7(2)10)9-6-11-4-5-12-9/h4-8H,3H2,1-2H3
InChIKeyXEDMIAYGKYDJJE-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-chloropentan-3-yl)pyrazine

2-(2-chloropentan-3-yl)pyrazine (PubChem CID 63203167) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-(2-chloropentan-3-yl)pyrazine.

Molecular Properties

Compound Name2-(2-chloropentan-3-yl)pyrazine
PubChem CID63203167
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-(2-chloropentan-3-yl)pyrazine
SMILESCCC(c1cnccn1)C(C)Cl
InChIInChI=1S/C9H13ClN2/c1-3-8(7(2)10)9-6-11-4-5-12-9/h4-8H,3H2,1-2H3
InChIKeyXEDMIAYGKYDJJE-UHFFFAOYSA-N
XLogP2.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.60
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

2-(2-bromopentan-3-yl)pyrazine
CID 63203717
1-phenyl-2-pyrazin-2-ylbutan-1-amine
CID 57009177
2-(1-ethoxyethyl)pyrazine
CID 71406239
1-pyrazin-2-ylethylphosphane
CID 59073972
2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine
CID 66330085
4-pyrazin-2-ylpentan-2-amine
CID 64721175
(2R)-2-(1-pyrazin-2-ylethylamino)butan-1-ol
CID 103922625
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
2-pyrazin-2-ylpropanamide
CID 21413230
(2-phenyl-1-pyrazin-2-ylbutyl)hydrazine
CID 105308706
2-phenyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 115860421
2-[(2R)-but-3-yn-2-yl]pyrazine
CID 143800515

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentan-3-yl)pyrazine?
The IUPAC name of 2-(2-chloropentan-3-yl)pyrazine (CID 63203167) is 2-(2-chloropentan-3-yl)pyrazine.
What is the SMILES notation for 2-(2-chloropentan-3-yl)pyrazine?
The canonical SMILES for 2-(2-chloropentan-3-yl)pyrazine is CCC(c1cnccn1)C(C)Cl.
What is the InChIKey of 2-(2-chloropentan-3-yl)pyrazine?
The InChIKey is XEDMIAYGKYDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-3-8(7(2)10)9-6-11-4-5-12-9/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chloropentan-3-yl)pyrazine?
2-(2-chloropentan-3-yl)pyrazine has a molecular weight of 184.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentan-3-yl)pyrazine is sourced from PubChem (CID 63203167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).