2-chloropyrimidin-5-ol

C4H3ClN2O — CID 14595700

IUPAC2-chloropyrimidin-5-ol
SMILESOc1cnc(Cl)nc1
InChIInChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H
InChIKeyBOGPIHXNWPTGNH-UHFFFAOYSA-N
MW130.53 g/mol
LogP0.84
Rot. Bonds

About 2-chloropyrimidin-5-ol

2-chloropyrimidin-5-ol (PubChem CID 14595700) has the molecular formula C4H3ClN2O and a molecular weight of 130.53 g/mol. Its IUPAC name is 2-chloropyrimidin-5-ol.

Molecular Properties

Compound Name2-chloropyrimidin-5-ol
PubChem CID14595700
Molecular FormulaC4H3ClN2O
Molecular Weight130.53 g/mol
Exact Mass129.99
IUPAC Name2-chloropyrimidin-5-ol
SMILESOc1cnc(Cl)nc1
InChIInChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H
InChIKeyBOGPIHXNWPTGNH-UHFFFAOYSA-N
XLogP0.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.53
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidin-5-ol?
The IUPAC name of 2-chloropyrimidin-5-ol (CID 14595700) is 2-chloropyrimidin-5-ol.
What is the SMILES notation for 2-chloropyrimidin-5-ol?
The canonical SMILES for 2-chloropyrimidin-5-ol is Oc1cnc(Cl)nc1.
What is the InChIKey of 2-chloropyrimidin-5-ol?
The InChIKey is BOGPIHXNWPTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H.
What are the key properties of 2-chloropyrimidin-5-ol?
2-chloropyrimidin-5-ol has a molecular weight of 130.53 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimidin-5-ol is sourced from PubChem (CID 14595700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).