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

C12H7Cl2N3 — CID 133095973

IUPAC5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2N3/c13-10-2-1-7(4-11(10)14)12-8(5-15)3-9(16)6-17-12/h1-4,6H,16H2
InChIKeyXAXXDFMKZBQKII-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.51
Rot. Bonds1

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

5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 133095973) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID133095973
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl2N3/c13-10-2-1-7(4-11(10)14)12-8(5-15)3-9(16)6-17-12/h1-4,6H,16H2
InChIKeyXAXXDFMKZBQKII-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

5-amino-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086771
2-[5-amino-6-(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094378
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
CID 2086960
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
2-amino-4-(3-chloro-2-pyridinyl)benzonitrile
CID 22030226
3-amino-4-(3,4-dichlorophenyl)thiophene-2-carbonitrile
CID 82123527
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
CID 54860994
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile (CID 133095973) is 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is XAXXDFMKZBQKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-10-2-1-7(4-11(10)14)12-8(5-15)3-9(16)6-17-12/h1-4,6H,16H2.
What are the key properties of 5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile?
5-amino-2-(3,4-dichlorophenyl)pyridine-3-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-(3,4-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133095973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).