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

C12H6Cl2N2 — CID 133095092

IUPAC3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2N2/c13-10-4-3-8(6-11(10)14)9-2-1-5-16-12(9)7-15/h1-6H
InChIKeyAFBJJQQCYXNFBD-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.93
Rot. Bonds1

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

3-(3,4-dichlorophenyl)pyridine-2-carbonitrile (PubChem CID 133095092) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
PubChem CID133095092
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H6Cl2N2/c13-10-4-3-8(6-11(10)14)9-2-1-5-16-12(9)7-15/h1-6H
InChIKeyAFBJJQQCYXNFBD-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-(4-fluorophenyl)pyridine-2-carbonitrile
CID 46312083
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133095089
3-[7-(2-cyano-3-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 118397742
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
CID 170449856
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile
CID 140769376
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
2,4-diamino-6-[4-(2-cyano-3-pyridinyl)phenyl]pyrimidine-5-carbonitrile
CID 169397299
3-[3-(3-phenothiazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146542766
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
3-(1-prop-2-ynyl-2,3-dihydro-1H-isoindol-5-yl)pyridine-2-carbonitrile
CID 153457209

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile (CID 133095092) is 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile is N#Cc1ncccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is AFBJJQQCYXNFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c13-10-4-3-8(6-11(10)14)9-2-1-5-16-12(9)7-15/h1-6H.
What are the key properties of 3-(3,4-dichlorophenyl)pyridine-2-carbonitrile?
3-(3,4-dichlorophenyl)pyridine-2-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-(3,4-dichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 133095092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).