6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile

C14H7Cl2N3 — CID 56604831

IUPAC6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(C#N)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C14H7Cl2N3/c15-10-2-3-11(13(16)5-10)12(7-18)14-4-1-9(6-17)8-19-14/h1-5,8,12H
InChIKeyQJBSNXJKDZAXGP-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.92
Rot. Bonds2

About 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile

6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile (PubChem CID 56604831) has the molecular formula C14H7Cl2N3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile
PubChem CID56604831
Molecular FormulaC14H7Cl2N3
Molecular Weight288.14 g/mol
Exact Mass287.00
IUPAC Name6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(C#N)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C14H7Cl2N3/c15-10-2-3-11(13(16)5-10)12(7-18)14-4-1-9(6-17)8-19-14/h1-5,8,12H
InChIKeyQJBSNXJKDZAXGP-UHFFFAOYSA-N
XLogP3.92
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile (CID 56604831) is 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile is N#Cc1ccc(C(C#N)c2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile?
The InChIKey is QJBSNXJKDZAXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N3/c15-10-2-3-11(13(16)5-10)12(7-18)14-4-1-9(6-17)8-19-14/h1-5,8,12H.
What are the key properties of 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile?
6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile has a molecular weight of 288.14 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyano-(2,4-dichlorophenyl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 56604831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).