5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile

C12H8Cl2N4 — CID 65469093

IUPAC5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H8Cl2N4/c13-9-2-1-3-10(14)11(9)18-12-7(5-15)4-8(16)6-17-12/h1-4,6H,16H2,(H,17,18)
InChIKeySBGBQSNJIQYKBI-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.59
Rot. Bonds2

About 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile

5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile (PubChem CID 65469093) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
PubChem CID65469093
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H8Cl2N4/c13-9-2-1-3-10(14)11(9)18-12-7(5-15)4-8(16)6-17-12/h1-4,6H,16H2,(H,17,18)
InChIKeySBGBQSNJIQYKBI-UHFFFAOYSA-N
XLogP3.59
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile (CID 65469093) is 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile is N#Cc1cc(N)cnc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile?
The InChIKey is SBGBQSNJIQYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-9-2-1-3-10(14)11(9)18-12-7(5-15)4-8(16)6-17-12/h1-4,6H,16H2,(H,17,18).
What are the key properties of 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile?
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 65469093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).