3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile

C13H11ClN4 — CID 103468701

IUPAC3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
SMILESCc1cccc(Cl)c1Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C13H11ClN4/c1-8-3-2-4-9(14)13(8)18-12-6-5-10(16)11(7-15)17-12/h2-6H,16H2,1H3,(H,17,18)
InChIKeyVNTPFIZHHTZMCM-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.24
Rot. Bonds2

About 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile

3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile (PubChem CID 103468701) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
PubChem CID103468701
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
SMILESCc1cccc(Cl)c1Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C13H11ClN4/c1-8-3-2-4-9(14)13(8)18-12-6-5-10(16)11(7-15)17-12/h2-6H,16H2,1H3,(H,17,18)
InChIKeyVNTPFIZHHTZMCM-UHFFFAOYSA-N
XLogP3.24
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile (CID 103468701) is 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile is Cc1cccc(Cl)c1Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile?
The InChIKey is VNTPFIZHHTZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-3-2-4-9(14)13(8)18-12-6-5-10(16)11(7-15)17-12/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile?
3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).