[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol

C18H13Cl2NO — CID 134227733

IUPAC[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl2NO/c19-14-5-1-12(2-6-14)17-10-9-16(11-22)21-18(17)13-3-7-15(20)8-4-13/h1-10,22H,11H2
InChIKeyYCSYIOHOWRFLHX-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.21
Rot. Bonds3

About [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol

[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol (PubChem CID 134227733) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
PubChem CID134227733
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Name[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl2NO/c19-14-5-1-12(2-6-14)17-10-9-16(11-22)21-18(17)13-3-7-15(20)8-4-13/h1-10,22H,11H2
InChIKeyYCSYIOHOWRFLHX-UHFFFAOYSA-N
XLogP5.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol (CID 134227733) is [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol is OCc1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol?
The InChIKey is YCSYIOHOWRFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c19-14-5-1-12(2-6-14)17-10-9-16(11-22)21-18(17)13-3-7-15(20)8-4-13/h1-10,22H,11H2.
What are the key properties of [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol?
[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol has a molecular weight of 330.21 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134227733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).