(4-chloro-1H-pyrazin-2-yl)methanol

C5H7ClN2O — CID 87251830

IUPAC(4-chloro-1H-pyrazin-2-yl)methanol
SMILESOCC1=CN(Cl)C=CN1
InChIInChI=1S/C5H7ClN2O/c6-8-2-1-7-5(3-8)4-9/h1-3,7,9H,4H2
InChIKeyWIDZAQAWVGOXMT-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.35
Rot. Bonds1

About (4-chloro-1H-pyrazin-2-yl)methanol

(4-chloro-1H-pyrazin-2-yl)methanol (PubChem CID 87251830) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is (4-chloro-1H-pyrazin-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1H-pyrazin-2-yl)methanol
PubChem CID87251830
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name(4-chloro-1H-pyrazin-2-yl)methanol
SMILESOCC1=CN(Cl)C=CN1
InChIInChI=1S/C5H7ClN2O/c6-8-2-1-7-5(3-8)4-9/h1-3,7,9H,4H2
InChIKeyWIDZAQAWVGOXMT-UHFFFAOYSA-N
XLogP0.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,4-Dichloropyrazin-2-yl)methanol
CID 18440099
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103
2-[[(Z)-prop-1-enyl]amino]prop-2-en-1-ol
CID 143337161
(Z)-2-amino-3-(methylamino)prop-2-en-1-ol
CID 147935369
3-Amino-2-(ethenylamino)prop-2-en-1-ol
CID 173169161
[5-(Hydroxymethyl)-1,4-dihydropyrazin-2-yl]methanol
CID 55286313
(Z)-3-amino-2-(ethylamino)prop-2-en-1-ol
CID 143455479
(Z)-2-amino-3-(ethylamino)prop-2-en-1-ol
CID 143456406

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrazin-2-yl)methanol?
The IUPAC name of (4-chloro-1H-pyrazin-2-yl)methanol (CID 87251830) is (4-chloro-1H-pyrazin-2-yl)methanol.
What is the SMILES notation for (4-chloro-1H-pyrazin-2-yl)methanol?
The canonical SMILES for (4-chloro-1H-pyrazin-2-yl)methanol is OCC1=CN(Cl)C=CN1.
What is the InChIKey of (4-chloro-1H-pyrazin-2-yl)methanol?
The InChIKey is WIDZAQAWVGOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c6-8-2-1-7-5(3-8)4-9/h1-3,7,9H,4H2.
What are the key properties of (4-chloro-1H-pyrazin-2-yl)methanol?
(4-chloro-1H-pyrazin-2-yl)methanol has a molecular weight of 146.58 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazin-2-yl)methanol is sourced from PubChem (CID 87251830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).