3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile

C13H10BrClN4 — CID 103469069

IUPAC3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Br)c(Nc2ccc(N)c(C#N)n2)cc1Cl
InChIInChI=1S/C13H10BrClN4/c1-7-4-8(14)11(5-9(7)15)18-13-3-2-10(17)12(6-16)19-13/h2-5H,17H2,1H3,(H,18,19)
InChIKeyQLVOVWLQLSYMLG-UHFFFAOYSA-N
MW337.61 g/mol
LogP4.00
Rot. Bonds2

About 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile

3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile (PubChem CID 103469069) has the molecular formula C13H10BrClN4 and a molecular weight of 337.61 g/mol. Its IUPAC name is 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
PubChem CID103469069
Molecular FormulaC13H10BrClN4
Molecular Weight337.61 g/mol
Exact Mass335.98
IUPAC Name3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Br)c(Nc2ccc(N)c(C#N)n2)cc1Cl
InChIInChI=1S/C13H10BrClN4/c1-7-4-8(14)11(5-9(7)15)18-13-3-2-10(17)12(6-16)19-13/h2-5H,17H2,1H3,(H,18,19)
InChIKeyQLVOVWLQLSYMLG-UHFFFAOYSA-N
XLogP4.00
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile
CID 103468643
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
CID 103468701
3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
CID 103467416
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
5-amino-2-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 104722313
4-(2-bromo-5-chloro-4-methylanilino)-3-chlorobenzonitrile
CID 104723763
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788
4-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 104723770
3-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile (CID 103469069) is 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile is Cc1cc(Br)c(Nc2ccc(N)c(C#N)n2)cc1Cl.
What is the InChIKey of 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
The InChIKey is QLVOVWLQLSYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4/c1-7-4-8(14)11(5-9(7)15)18-13-3-2-10(17)12(6-16)19-13/h2-5H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile?
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile has a molecular weight of 337.61 g/mol, XLogP of 4.00, 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-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103469069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).