6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile

C14H7ClFN3 — CID 56604870

IUPAC6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(C#N)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C14H7ClFN3/c15-9-4-5-11(13(16)6-9)12(8-18)14-3-1-2-10(7-17)19-14/h1-6,12H
InChIKeyYAMKBEINJXJHEA-UHFFFAOYSA-N
MW271.68 g/mol
LogP3.40
Rot. Bonds2

About 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile

6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile (PubChem CID 56604870) has the molecular formula C14H7ClFN3 and a molecular weight of 271.68 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile
PubChem CID56604870
Molecular FormulaC14H7ClFN3
Molecular Weight271.68 g/mol
Exact Mass271.03
IUPAC Name6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(C#N)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C14H7ClFN3/c15-9-4-5-11(13(16)6-9)12(8-18)14-3-1-2-10(7-17)19-14/h1-6,12H
InChIKeyYAMKBEINJXJHEA-UHFFFAOYSA-N
XLogP3.40
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile (CID 56604870) is 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile is N#Cc1cccc(C(C#N)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
The InChIKey is YAMKBEINJXJHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN3/c15-9-4-5-11(13(16)6-9)12(8-18)14-3-1-2-10(7-17)19-14/h1-6,12H.
What are the key properties of 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile?
6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile has a molecular weight of 271.68 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorophenyl)-cyanomethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 56604870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).