4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

C15H14BrN3 — CID 107635030

IUPAC4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2cccc(Br)c2C)c(C#N)c(C)n1
InChIInChI=1S/C15H14BrN3/c1-9-7-15(12(8-17)11(3)18-9)19-14-6-4-5-13(16)10(14)2/h4-7H,1-3H3,(H,18,19)
InChIKeyJHUZHNSOZZUBGN-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.38
Rot. Bonds2

About 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 107635030) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID107635030
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2cccc(Br)c2C)c(C#N)c(C)n1
InChIInChI=1S/C15H14BrN3/c1-9-7-15(12(8-17)11(3)18-9)19-14-6-4-5-13(16)10(14)2/h4-7H,1-3H3,(H,18,19)
InChIKeyJHUZHNSOZZUBGN-UHFFFAOYSA-N
XLogP4.38
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
2-(3-bromo-2-methylanilino)-6-chlorobenzonitrile
CID 107635100
4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060340
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060865
2-bromo-6-[(2-methylquinolin-8-yl)amino]benzonitrile
CID 114880986
4-N-(3-bromo-2-methylphenyl)-2-methylquinoline-4,6-diamine
CID 107633720
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
2-(3-bromo-2-methylanilino)quinoline-4-carbonitrile
CID 107635048
4-(3-bromo-2-methylanilino)-2,3-difluorobenzonitrile
CID 107934305
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 107635030) is 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2cccc(Br)c2C)c(C#N)c(C)n1.
What is the InChIKey of 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is JHUZHNSOZZUBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-9-7-15(12(8-17)11(3)18-9)19-14-6-4-5-13(16)10(14)2/h4-7H,1-3H3,(H,18,19).
What are the key properties of 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 316.20 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107635030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).