1-(3-chloropyrazin-2-yl)hexan-1-ol

C10H15ClN2O — CID 15880598

IUPAC1-(3-chloropyrazin-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1nccnc1Cl
InChIInChI=1S/C10H15ClN2O/c1-2-3-4-5-8(14)9-10(11)13-7-6-12-9/h6-8,14H,2-5H2,1H3
InChIKeyKZXMTUHEIDZAEC-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.74
Rot. Bonds5

About 1-(3-chloropyrazin-2-yl)hexan-1-ol

1-(3-chloropyrazin-2-yl)hexan-1-ol (PubChem CID 15880598) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(3-chloropyrazin-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-chloropyrazin-2-yl)hexan-1-ol
PubChem CID15880598
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(3-chloropyrazin-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1nccnc1Cl
InChIInChI=1S/C10H15ClN2O/c1-2-3-4-5-8(14)9-10(11)13-7-6-12-9/h6-8,14H,2-5H2,1H3
InChIKeyKZXMTUHEIDZAEC-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Pyrazin-2-ylhexan-1-ol
CID 15880595
5,5,5-Trifluoro-1-(5-methylpyrazin-2-yl)pentan-1-ol
CID 105120629
5,5,5-Trifluoro-1-pyrazin-2-ylpentan-1-ol
CID 115516047
1-(3-Chloro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11390906
1-(Pyrazin-2-yl)propan-1-ol
CID 12826362
1-(3,5-Dichloropyrazin-2-yl)ethanol
CID 15696846
1-(3,5-Dichloropyrazin-2-yl)propan-1-ol
CID 15696847
4-(6-Chloropyrazin-2-yl)-2-methylnonan-4-ol
CID 17769286
1-(3-Chloropyrazin-2-yl)ethanol
CID 59852814
3-Methyl-1-(pyrazin-2-yl)butan-1-ol
CID 60798567
1-Pyrazin-2-ylbutan-1-ol
CID 60798698
(3-Chloropyrazin-2-yl)-cyclodecylmethanol
CID 89729588

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazin-2-yl)hexan-1-ol?
The IUPAC name of 1-(3-chloropyrazin-2-yl)hexan-1-ol (CID 15880598) is 1-(3-chloropyrazin-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(3-chloropyrazin-2-yl)hexan-1-ol?
The canonical SMILES for 1-(3-chloropyrazin-2-yl)hexan-1-ol is CCCCCC(O)c1nccnc1Cl.
What is the InChIKey of 1-(3-chloropyrazin-2-yl)hexan-1-ol?
The InChIKey is KZXMTUHEIDZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-2-3-4-5-8(14)9-10(11)13-7-6-12-9/h6-8,14H,2-5H2,1H3.
What are the key properties of 1-(3-chloropyrazin-2-yl)hexan-1-ol?
1-(3-chloropyrazin-2-yl)hexan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazin-2-yl)hexan-1-ol is sourced from PubChem (CID 15880598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).