5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile

C13H10Cl2N4 — CID 104725902

IUPAC5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
SMILESCc1cc(Cl)c(Nc2ncc(N)cc2C#N)cc1Cl
InChIInChI=1S/C13H10Cl2N4/c1-7-2-11(15)12(4-10(7)14)19-13-8(5-16)3-9(17)6-18-13/h2-4,6H,17H2,1H3,(H,18,19)
InChIKeyKHAOJWHOXSDPRJ-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.89
Rot. Bonds2

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

5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile (PubChem CID 104725902) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
PubChem CID104725902
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
SMILESCc1cc(Cl)c(Nc2ncc(N)cc2C#N)cc1Cl
InChIInChI=1S/C13H10Cl2N4/c1-7-2-11(15)12(4-10(7)14)19-13-8(5-16)3-9(17)6-18-13/h2-4,6H,17H2,1H3,(H,18,19)
InChIKeyKHAOJWHOXSDPRJ-UHFFFAOYSA-N
XLogP3.89
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
5-amino-2-(5-cyano-2-methylanilino)pyridine-3-carbonitrile
CID 62103720
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
5-amino-2-(5-chloro-2-methoxyanilino)pyridine-3-carbonitrile
CID 54860696
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196
5-amino-2-(2-iodoanilino)pyridine-3-carbonitrile
CID 54860710
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile (CID 104725902) is 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile is Cc1cc(Cl)c(Nc2ncc(N)cc2C#N)cc1Cl.
What is the InChIKey of 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile?
The InChIKey is KHAOJWHOXSDPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c1-7-2-11(15)12(4-10(7)14)19-13-8(5-16)3-9(17)6-18-13/h2-4,6H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile?
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile has a molecular weight of 293.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 104725902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).