3-(2,4-dichlorophenyl)pyridine-4-carbonitrile

C12H6Cl2N2 — CID 133095084

IUPAC3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2N2/c13-9-1-2-10(12(14)5-9)11-7-16-4-3-8(11)6-15/h1-5,7H
InChIKeyYHROWCOGGWAZTQ-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.93
Rot. Bonds1

About 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile

3-(2,4-dichlorophenyl)pyridine-4-carbonitrile (PubChem CID 133095084) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
PubChem CID133095084
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2N2/c13-9-1-2-10(12(14)5-9)11-7-16-4-3-8(11)6-15/h1-5,7H
InChIKeyYHROWCOGGWAZTQ-UHFFFAOYSA-N
XLogP3.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-4-ethynylpyridine
CID 169447929
3-(4-chlorophenyl)pyridine-4-carbonitrile
CID 124706969
3-(3-fluoro-4-pyridinyl)pyridine-4-carbonitrile
CID 147199411
3-(3-chloro-2-fluorophenyl)pyridine-4-carbonitrile
CID 169447841
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
3-(2,4-dichlorophenyl)-1-methylpyrazole-4-carbonitrile
CID 15116022
3-(2,5-diaminophenyl)pyridine-4-carbonitrile
CID 18415391
3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
CID 134617900
3-(2-bromo-4-chloroanilino)pyridine-4-carbonitrile
CID 113269414
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
CID 114287961
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile (CID 133095084) is 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile is N#Cc1ccncc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile?
The InChIKey is YHROWCOGGWAZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c13-9-1-2-10(12(14)5-9)11-7-16-4-3-8(11)6-15/h1-5,7H.
What are the key properties of 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile?
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile has a molecular weight of 249.10 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 133095084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).