[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol

C9H9ClF2N2O — CID 19700341

IUPAC[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol
SMILESOC(c1cncnc1C(F)(F)Cl)C1CC1
InChIInChI=1S/C9H9ClF2N2O/c10-9(11,12)8-6(3-13-4-14-8)7(15)5-1-2-5/h3-5,7,15H,1-2H2
InChIKeyXZADDSYEBVMTDU-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.21
Rot. Bonds3

About [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol

[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol (PubChem CID 19700341) has the molecular formula C9H9ClF2N2O and a molecular weight of 234.63 g/mol. Its IUPAC name is [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol
PubChem CID19700341
Molecular FormulaC9H9ClF2N2O
Molecular Weight234.63 g/mol
Exact Mass234.04
IUPAC Name[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol
SMILESOC(c1cncnc1C(F)(F)Cl)C1CC1
InChIInChI=1S/C9H9ClF2N2O/c10-9(11,12)8-6(3-13-4-14-8)7(15)5-1-2-5/h3-5,7,15H,1-2H2
InChIKeyXZADDSYEBVMTDU-UHFFFAOYSA-N
XLogP2.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol?
The IUPAC name of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol (CID 19700341) is [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol.
What is the SMILES notation for [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol?
The canonical SMILES for [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol is OC(c1cncnc1C(F)(F)Cl)C1CC1.
What is the InChIKey of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol?
The InChIKey is XZADDSYEBVMTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O/c10-9(11,12)8-6(3-13-4-14-8)7(15)5-1-2-5/h3-5,7,15H,1-2H2.
What are the key properties of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol?
[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol has a molecular weight of 234.63 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-cyclopropylmethanol is sourced from PubChem (CID 19700341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).