3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile

C19H13ClN2O — CID 66926995

IUPAC3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H13ClN2O/c20-19-12-22-11-18(17(19)10-21)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-9,11-12H,13H2
InChIKeyJCPADWPSCWPNRT-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.85
Rot. Bonds4

About 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile

3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile (PubChem CID 66926995) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile
PubChem CID66926995
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H13ClN2O/c20-19-12-22-11-18(17(19)10-21)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-9,11-12H,13H2
InChIKeyJCPADWPSCWPNRT-UHFFFAOYSA-N
XLogP4.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile (CID 66926995) is 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile is N#Cc1c(Cl)cncc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile?
The InChIKey is JCPADWPSCWPNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-19-12-22-11-18(17(19)10-21)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-9,11-12H,13H2.
What are the key properties of 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile?
3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile has a molecular weight of 320.78 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 66926995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).