(1,4-dichloropyrazin-2-yl)methanol

C5H6Cl2N2O — CID 18440099

IUPAC(1,4-dichloropyrazin-2-yl)methanol
SMILESOCC1=CN(Cl)C=CN1Cl
InChIInChI=1S/C5H6Cl2N2O/c6-8-1-2-9(7)5(3-8)4-10/h1-3,10H,4H2
InChIKeyKCMZACYHHGXBOY-UHFFFAOYSA-N
MW181.02 g/mol
LogP1.22
Rot. Bonds1

About (1,4-dichloropyrazin-2-yl)methanol

(1,4-dichloropyrazin-2-yl)methanol (PubChem CID 18440099) has the molecular formula C5H6Cl2N2O and a molecular weight of 181.02 g/mol. Its IUPAC name is (1,4-dichloropyrazin-2-yl)methanol.

Molecular Properties

Compound Name(1,4-dichloropyrazin-2-yl)methanol
PubChem CID18440099
Molecular FormulaC5H6Cl2N2O
Molecular Weight181.02 g/mol
Exact Mass179.99
IUPAC Name(1,4-dichloropyrazin-2-yl)methanol
SMILESOCC1=CN(Cl)C=CN1Cl
InChIInChI=1S/C5H6Cl2N2O/c6-8-1-2-9(7)5(3-8)4-10/h1-3,10H,4H2
InChIKeyKCMZACYHHGXBOY-UHFFFAOYSA-N
XLogP1.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,4-dichloropyrazin-2-yl)methanol?
The IUPAC name of (1,4-dichloropyrazin-2-yl)methanol (CID 18440099) is (1,4-dichloropyrazin-2-yl)methanol.
What is the SMILES notation for (1,4-dichloropyrazin-2-yl)methanol?
The canonical SMILES for (1,4-dichloropyrazin-2-yl)methanol is OCC1=CN(Cl)C=CN1Cl.
What is the InChIKey of (1,4-dichloropyrazin-2-yl)methanol?
The InChIKey is KCMZACYHHGXBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2O/c6-8-1-2-9(7)5(3-8)4-10/h1-3,10H,4H2.
What are the key properties of (1,4-dichloropyrazin-2-yl)methanol?
(1,4-dichloropyrazin-2-yl)methanol has a molecular weight of 181.02 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dichloropyrazin-2-yl)methanol is sourced from PubChem (CID 18440099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).