5-(3,4-dichloroanilino)pyridine-2-carbonitrile

C12H7Cl2N3 — CID 113320534

IUPAC5-(3,4-dichloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H7Cl2N3/c13-11-4-3-8(5-12(11)14)17-10-2-1-9(6-15)16-7-10/h1-5,7,17H
InChIKeyXQRZJSRGZUOIPF-UHFFFAOYSA-N
MW264.12 g/mol
LogP4.00
Rot. Bonds2

About 5-(3,4-dichloroanilino)pyridine-2-carbonitrile

5-(3,4-dichloroanilino)pyridine-2-carbonitrile (PubChem CID 113320534) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)pyridine-2-carbonitrile
PubChem CID113320534
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name5-(3,4-dichloroanilino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C12H7Cl2N3/c13-11-4-3-8(5-12(11)14)17-10-2-1-9(6-15)16-7-10/h1-5,7,17H
InChIKeyXQRZJSRGZUOIPF-UHFFFAOYSA-N
XLogP4.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
3-[(6-cyano-3-pyridinyl)amino]benzoic acid
CID 113320464
5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile
CID 138653459
5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 133352459
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(3,4-dichloroanilino)pyridine-2-carbonitrile (CID 113320534) is 5-(3,4-dichloroanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3,4-dichloroanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3,4-dichloroanilino)pyridine-2-carbonitrile is N#Cc1ccc(Nc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-(3,4-dichloroanilino)pyridine-2-carbonitrile?
The InChIKey is XQRZJSRGZUOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-11-4-3-8(5-12(11)14)17-10-2-1-9(6-15)16-7-10/h1-5,7,17H.
What are the key properties of 5-(3,4-dichloroanilino)pyridine-2-carbonitrile?
5-(3,4-dichloroanilino)pyridine-2-carbonitrile has a molecular weight of 264.12 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloroanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 113320534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).