(2-chloro-5-fluoropyrimidin-4-yl)methanol

C5H4ClFN2O — CID 86697886

IUPAC(2-chloro-5-fluoropyrimidin-4-yl)methanol
SMILESOCc1nc(Cl)ncc1F
InChIInChI=1S/C5H4ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1,10H,2H2
InChIKeyVZHFDDYMBJKFDL-UHFFFAOYSA-N
MW162.55 g/mol
LogP0.76
Rot. Bonds1

About (2-chloro-5-fluoropyrimidin-4-yl)methanol

(2-chloro-5-fluoropyrimidin-4-yl)methanol (PubChem CID 86697886) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is (2-chloro-5-fluoropyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-5-fluoropyrimidin-4-yl)methanol
PubChem CID86697886
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name(2-chloro-5-fluoropyrimidin-4-yl)methanol
SMILESOCc1nc(Cl)ncc1F
InChIInChI=1S/C5H4ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1,10H,2H2
InChIKeyVZHFDDYMBJKFDL-UHFFFAOYSA-N
XLogP0.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoropyrimidin-4-yl)methanol?
The IUPAC name of (2-chloro-5-fluoropyrimidin-4-yl)methanol (CID 86697886) is (2-chloro-5-fluoropyrimidin-4-yl)methanol.
What is the SMILES notation for (2-chloro-5-fluoropyrimidin-4-yl)methanol?
The canonical SMILES for (2-chloro-5-fluoropyrimidin-4-yl)methanol is OCc1nc(Cl)ncc1F.
What is the InChIKey of (2-chloro-5-fluoropyrimidin-4-yl)methanol?
The InChIKey is VZHFDDYMBJKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c6-5-8-1-3(7)4(2-10)9-5/h1,10H,2H2.
What are the key properties of (2-chloro-5-fluoropyrimidin-4-yl)methanol?
(2-chloro-5-fluoropyrimidin-4-yl)methanol has a molecular weight of 162.55 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoropyrimidin-4-yl)methanol is sourced from PubChem (CID 86697886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).