5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile

C12H7Cl2N3 — CID 133095975

IUPAC5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2cc(Cl)cc(Cl)c2)ncc1N
InChIInChI=1S/C12H7Cl2N3/c13-9-1-7(2-10(14)4-9)12-3-8(5-15)11(16)6-17-12/h1-4,6H,16H2
InChIKeyZANWUJKYLASCMS-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.51
Rot. Bonds1

About 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile

5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile (PubChem CID 133095975) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile
PubChem CID133095975
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2cc(Cl)cc(Cl)c2)ncc1N
InChIInChI=1S/C12H7Cl2N3/c13-9-1-7(2-10(14)4-9)12-3-8(5-15)11(16)6-17-12/h1-4,6H,16H2
InChIKeyZANWUJKYLASCMS-UHFFFAOYSA-N
XLogP3.51
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
5-amino-2-methylpyridine-4-carbonitrile
CID 82593829
5-amino-4-cyanopyridine-2-carbonyl chloride
CID 131012812
2,6-bis(3,5-dichlorophenyl)pyridine-3-carbonitrile
CID 133094772
2-[5-amino-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-(3-chlorophenyl)-5-ethoxypyridine-4-carbonitrile
CID 132588920
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
2,5-diamino-4-chlorobenzonitrile
CID 171016548
2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 133095973
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
2-amino-4-(3-chloro-2-pyridinyl)benzonitrile
CID 22030226

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile (CID 133095975) is 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile is N#Cc1cc(-c2cc(Cl)cc(Cl)c2)ncc1N.
What is the InChIKey of 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile?
The InChIKey is ZANWUJKYLASCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-9-1-7(2-10(14)4-9)12-3-8(5-15)11(16)6-17-12/h1-4,6H,16H2.
What are the key properties of 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile?
5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile has a molecular weight of 264.12 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 133095975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).