(4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol

C17H14ClN3O — CID 56676127

IUPAC(4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1
InChIInChI=1S/C17H14ClN3O/c1-12-2-3-14(10-21-12)17(22,15-8-19-11-20-9-15)13-4-6-16(18)7-5-13/h2-11,22H,1H3
InChIKeyOSVWOMBSJDRKOJ-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.12
Rot. Bonds3

About (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol

(4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol (PubChem CID 56676127) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
PubChem CID56676127
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name(4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1
InChIInChI=1S/C17H14ClN3O/c1-12-2-3-14(10-21-12)17(22,15-8-19-11-20-9-15)13-4-6-16(18)7-5-13/h2-11,22H,1H3
InChIKeyOSVWOMBSJDRKOJ-UHFFFAOYSA-N
XLogP3.12
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol (CID 56676127) is (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol is Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1.
What is the InChIKey of (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol?
The InChIKey is OSVWOMBSJDRKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-2-3-14(10-21-12)17(22,15-8-19-11-20-9-15)13-4-6-16(18)7-5-13/h2-11,22H,1H3.
What are the key properties of (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol?
(4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol has a molecular weight of 311.77 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56676127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).