(2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol

C16H12ClN3O — CID 56668888

IUPAC(2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol
SMILESOC(c1cccnc1)(c1cncnc1)c1ccccc1Cl
InChIInChI=1S/C16H12ClN3O/c17-15-6-2-1-5-14(15)16(21,12-4-3-7-18-8-12)13-9-19-11-20-10-13/h1-11,21H
InChIKeyMSAOCTXGBAGSRS-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.81
Rot. Bonds3

About (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol

(2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol (PubChem CID 56668888) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol
PubChem CID56668888
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name(2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol
SMILESOC(c1cccnc1)(c1cncnc1)c1ccccc1Cl
InChIInChI=1S/C16H12ClN3O/c17-15-6-2-1-5-14(15)16(21,12-4-3-7-18-8-12)13-9-19-11-20-10-13/h1-11,21H
InChIKeyMSAOCTXGBAGSRS-UHFFFAOYSA-N
XLogP2.81
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol?
The IUPAC name of (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol (CID 56668888) is (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol is OC(c1cccnc1)(c1cncnc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol?
The InChIKey is MSAOCTXGBAGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-6-2-1-5-14(15)16(21,12-4-3-7-18-8-12)13-9-19-11-20-10-13/h1-11,21H.
What are the key properties of (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol?
(2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol has a molecular weight of 297.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-pyridin-3-yl-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56668888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).