(2-chloropyrimidin-4-yl)oxymethanol

C5H5ClN2O2 — CID 59444619

IUPAC(2-chloropyrimidin-4-yl)oxymethanol
SMILESOCOc1ccnc(Cl)n1
InChIInChI=1S/C5H5ClN2O2/c6-5-7-2-1-4(8-5)10-3-9/h1-2,9H,3H2
InChIKeyNZGOIZBTRVGNJY-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.46
Rot. Bonds2

About (2-chloropyrimidin-4-yl)oxymethanol

(2-chloropyrimidin-4-yl)oxymethanol (PubChem CID 59444619) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is (2-chloropyrimidin-4-yl)oxymethanol.

Molecular Properties

Compound Name(2-chloropyrimidin-4-yl)oxymethanol
PubChem CID59444619
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name(2-chloropyrimidin-4-yl)oxymethanol
SMILESOCOc1ccnc(Cl)n1
InChIInChI=1S/C5H5ClN2O2/c6-5-7-2-1-4(8-5)10-3-9/h1-2,9H,3H2
InChIKeyNZGOIZBTRVGNJY-UHFFFAOYSA-N
XLogP0.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloropyrimidin-4-yl)oxymethanol?
The IUPAC name of (2-chloropyrimidin-4-yl)oxymethanol (CID 59444619) is (2-chloropyrimidin-4-yl)oxymethanol.
What is the SMILES notation for (2-chloropyrimidin-4-yl)oxymethanol?
The canonical SMILES for (2-chloropyrimidin-4-yl)oxymethanol is OCOc1ccnc(Cl)n1.
What is the InChIKey of (2-chloropyrimidin-4-yl)oxymethanol?
The InChIKey is NZGOIZBTRVGNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-5-7-2-1-4(8-5)10-3-9/h1-2,9H,3H2.
What are the key properties of (2-chloropyrimidin-4-yl)oxymethanol?
(2-chloropyrimidin-4-yl)oxymethanol has a molecular weight of 160.56 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrimidin-4-yl)oxymethanol is sourced from PubChem (CID 59444619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).