4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile

C19H13ClN2O — CID 56669188

IUPAC4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H13ClN2O/c20-18-9-7-16(8-10-18)19(23,17-2-1-11-22-13-17)15-5-3-14(12-21)4-6-15/h1-11,13,23H
InChIKeyMKMYQHZJDJYTSA-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.89
Rot. Bonds3

About 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile

4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile (PubChem CID 56669188) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
PubChem CID56669188
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
SMILESN#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1
InChIInChI=1S/C19H13ClN2O/c20-18-9-7-16(8-10-18)19(23,17-2-1-11-22-13-17)15-5-3-14(12-21)4-6-15/h1-11,13,23H
InChIKeyMKMYQHZJDJYTSA-UHFFFAOYSA-N
XLogP3.89
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
The IUPAC name of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile (CID 56669188) is 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile.
What is the SMILES notation for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
The canonical SMILES for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile is N#Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
The InChIKey is MKMYQHZJDJYTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-18-9-7-16(8-10-18)19(23,17-2-1-11-22-13-17)15-5-3-14(12-21)4-6-15/h1-11,13,23H.
What are the key properties of 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile?
4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile has a molecular weight of 320.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile is sourced from PubChem (CID 56669188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).