(1S)-1-(3-chloropyrazin-2-yl)butan-1-ol

C8H11ClN2O — CID 95180336

IUPAC(1S)-1-(3-chloropyrazin-2-yl)butan-1-ol
SMILESCCC[C@H](O)c1nccnc1Cl
InChIInChI=1S/C8H11ClN2O/c1-2-3-6(12)7-8(9)11-5-4-10-7/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKeyQRGRHQKRHPQQIN-LURJTMIESA-N
MW186.64 g/mol
LogP1.96
Rot. Bonds3

About (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol

(1S)-1-(3-chloropyrazin-2-yl)butan-1-ol (PubChem CID 95180336) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-chloropyrazin-2-yl)butan-1-ol
PubChem CID95180336
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(1S)-1-(3-chloropyrazin-2-yl)butan-1-ol
SMILESCCC[C@H](O)c1nccnc1Cl
InChIInChI=1S/C8H11ClN2O/c1-2-3-6(12)7-8(9)11-5-4-10-7/h4-6,12H,2-3H2,1H3/t6-/m0/s1
InChIKeyQRGRHQKRHPQQIN-LURJTMIESA-N
XLogP1.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoropyrazin-2-yl)propan-1-ol
CID 156558715
2,2-Dimethyl-1-pyrazin-2-yl-propan-1-ol
CID 14553025
1-Pyrazin-2-ylhexan-1-ol
CID 15880595
1-(3-Chloropyrazin-2-yl)hexan-1-ol
CID 15880598
4,4,4-Trifluoro-1-pyrazin-2-ylbutan-1-ol
CID 64566753
4,4,4-Trifluoro-1-(5-methylpyrazin-2-yl)butan-1-ol
CID 105104687
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
2,2-Difluoro-1-pyrazin-2-ylpropan-1-ol
CID 130913914
1-(6-Methyl-2-pyrazinyl)-3-methyl-1-butanol
CID 580130
1-(5,6-Dimethyl-2-pyrazinyl)-3-methyl-1-butanol
CID 586729
1-(3-Chloro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11390906

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol?
The IUPAC name of (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol (CID 95180336) is (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol.
What is the SMILES notation for (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol?
The canonical SMILES for (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol is CCC[C@H](O)c1nccnc1Cl.
What is the InChIKey of (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol?
The InChIKey is QRGRHQKRHPQQIN-LURJTMIESA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-2-3-6(12)7-8(9)11-5-4-10-7/h4-6,12H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol?
(1S)-1-(3-chloropyrazin-2-yl)butan-1-ol has a molecular weight of 186.64 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloropyrazin-2-yl)butan-1-ol is sourced from PubChem (CID 95180336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).