2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile

C14H11BrClN3 — CID 114766611

IUPAC2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C14H11BrClN3/c1-8-3-11(15)13(6-12(8)16)19-14-5-10(7-17)4-9(2)18-14/h3-6H,1-2H3,(H,18,19)
InChIKeyIDELXLQZNGIWOY-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.73
Rot. Bonds2

About 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile

2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114766611) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114766611
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C14H11BrClN3/c1-8-3-11(15)13(6-12(8)16)19-14-5-10(7-17)4-9(2)18-14/h3-6H,1-2H3,(H,18,19)
InChIKeyIDELXLQZNGIWOY-UHFFFAOYSA-N
XLogP4.73
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766691
4-(2-bromo-5-chloro-4-methylanilino)-3-chlorobenzonitrile
CID 104723763
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
3-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
2-(2-bromo-5-chloro-4-methylanilino)-6-chlorobenzonitrile
CID 104723788
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile (CID 114766611) is 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is IDELXLQZNGIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-8-3-11(15)13(6-12(8)16)19-14-5-10(7-17)4-9(2)18-14/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile?
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 336.62 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).