2-chloro-6-hexan-2-ylpyrazine

C10H15ClN2 — CID 174338871

IUPAC2-chloro-6-hexan-2-ylpyrazine
SMILESCCCCC(C)c1cncc(Cl)n1
InChIInChI=1S/C10H15ClN2/c1-3-4-5-8(2)9-6-12-7-10(11)13-9/h6-8H,3-5H2,1-2H3
InChIKeyXTLWWAIPQMVWHH-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-6-hexan-2-ylpyrazine

2-chloro-6-hexan-2-ylpyrazine (PubChem CID 174338871) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-6-hexan-2-ylpyrazine.

Molecular Properties

Compound Name2-chloro-6-hexan-2-ylpyrazine
PubChem CID174338871
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-6-hexan-2-ylpyrazine
SMILESCCCCC(C)c1cncc(Cl)n1
InChIInChI=1S/C10H15ClN2/c1-3-4-5-8(2)9-6-12-7-10(11)13-9/h6-8H,3-5H2,1-2H3
InChIKeyXTLWWAIPQMVWHH-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-hexan-2-ylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentan-2-yl-6-propan-2-ylpyrazine
CID 137452291
(6-chloropyrazin-2-yl)-(ethylamino)methanol
CID 129059860
5-chloro-2-octan-2-ylpyridine
CID 130320586
2-ethylhexyl 6-chloropyrazine-2-carboxylate
CID 106547540
1-(6-chloropyrazin-2-yl)ethyl formate
CID 174546830
3-(difluoromethyl)-5-hexan-2-ylpyridine
CID 156508681
2-nonan-5-yl-6-pentylpyrazine
CID 518702
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
3-hexan-2-yl-5-(trifluoromethyl)pyridine
CID 134266462
4,7-dichloro-2-heptan-2-ylquinoline
CID 102202973
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hexan-2-ylpyrazine?
The IUPAC name of 2-chloro-6-hexan-2-ylpyrazine (CID 174338871) is 2-chloro-6-hexan-2-ylpyrazine.
What is the SMILES notation for 2-chloro-6-hexan-2-ylpyrazine?
The canonical SMILES for 2-chloro-6-hexan-2-ylpyrazine is CCCCC(C)c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-hexan-2-ylpyrazine?
The InChIKey is XTLWWAIPQMVWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-3-4-5-8(2)9-6-12-7-10(11)13-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-6-hexan-2-ylpyrazine?
2-chloro-6-hexan-2-ylpyrazine has a molecular weight of 198.70 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hexan-2-ylpyrazine is sourced from PubChem (CID 174338871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).