(2,4,6-trichloropyrimidin-5-yl)methanol

C5H3Cl3N2O — CID 71464175

IUPAC(2,4,6-trichloropyrimidin-5-yl)methanol
SMILESOCc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2
InChIKeyFBNRIAWXHJFJAS-UHFFFAOYSA-N
MW213.45 g/mol
LogP1.93
Rot. Bonds1

About (2,4,6-trichloropyrimidin-5-yl)methanol

(2,4,6-trichloropyrimidin-5-yl)methanol (PubChem CID 71464175) has the molecular formula C5H3Cl3N2O and a molecular weight of 213.45 g/mol. Its IUPAC name is (2,4,6-trichloropyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2,4,6-trichloropyrimidin-5-yl)methanol
PubChem CID71464175
Molecular FormulaC5H3Cl3N2O
Molecular Weight213.45 g/mol
Exact Mass211.93
IUPAC Name(2,4,6-trichloropyrimidin-5-yl)methanol
SMILESOCc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2
InChIKeyFBNRIAWXHJFJAS-UHFFFAOYSA-N
XLogP1.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichloropyrimidin-5-yl)methanol?
The IUPAC name of (2,4,6-trichloropyrimidin-5-yl)methanol (CID 71464175) is (2,4,6-trichloropyrimidin-5-yl)methanol.
What is the SMILES notation for (2,4,6-trichloropyrimidin-5-yl)methanol?
The canonical SMILES for (2,4,6-trichloropyrimidin-5-yl)methanol is OCc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of (2,4,6-trichloropyrimidin-5-yl)methanol?
The InChIKey is FBNRIAWXHJFJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2.
What are the key properties of (2,4,6-trichloropyrimidin-5-yl)methanol?
(2,4,6-trichloropyrimidin-5-yl)methanol has a molecular weight of 213.45 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichloropyrimidin-5-yl)methanol is sourced from PubChem (CID 71464175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).