4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine

C12H11BrClN3 — CID 107617821

IUPAC4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2ccc(Br)c(Cl)c2)ccn1
InChIInChI=1S/C12H11BrClN3/c1-15-12-7-9(4-5-16-12)17-8-2-3-10(13)11(14)6-8/h2-7H,1H3,(H2,15,16,17)
InChIKeyUMABNDIMHTZIDU-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.28
Rot. Bonds3

About 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine

4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine (PubChem CID 107617821) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
PubChem CID107617821
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2ccc(Br)c(Cl)c2)ccn1
InChIInChI=1S/C12H11BrClN3/c1-15-12-7-9(4-5-16-12)17-8-2-3-10(13)11(14)6-8/h2-7H,1H3,(H2,15,16,17)
InChIKeyUMABNDIMHTZIDU-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367409
2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
CID 107620396
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367935
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
4-N-(4-bromo-3-chlorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 107617897
2-N-(4-bromo-3-chlorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107617867
N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine (CID 107617821) is 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine is CNc1cc(Nc2ccc(Br)c(Cl)c2)ccn1.
What is the InChIKey of 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is UMABNDIMHTZIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-15-12-7-9(4-5-16-12)17-8-2-3-10(13)11(14)6-8/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine?
4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 312.60 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 107617821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).