2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine

C12H11BrClN3 — CID 83265167

IUPAC2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccc(Cl)cc2Br)cc1N
InChIInChI=1S/C12H11BrClN3/c1-7-6-16-12(5-10(7)15)17-11-3-2-8(14)4-9(11)13/h2-6H,1H3,(H3,15,16,17)
InChIKeyJLWDTPVMOFELGY-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.13
Rot. Bonds2

About 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine

2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine (PubChem CID 83265167) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
PubChem CID83265167
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(Nc2ccc(Cl)cc2Br)cc1N
InChIInChI=1S/C12H11BrClN3/c1-7-6-16-12(5-10(7)15)17-11-3-2-8(14)4-9(11)13/h2-6H,1H3,(H3,15,16,17)
InChIKeyJLWDTPVMOFELGY-UHFFFAOYSA-N
XLogP4.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,4-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 79173349
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
N-(2-bromo-4-methylphenyl)-5-chloropyridin-2-amine
CID 66220531
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
5-bromo-N-(2-bromo-4-fluorophenyl)-4-methylpyridin-2-amine
CID 114870130
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
CID 81280685
2-bromo-1-N-(2,5-dichlorophenyl)-5-methylbenzene-1,4-diamine
CID 114048136

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine (CID 83265167) is 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine is Cc1cnc(Nc2ccc(Cl)cc2Br)cc1N.
What is the InChIKey of 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine?
The InChIKey is JLWDTPVMOFELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-6-16-12(5-10(7)15)17-11-3-2-8(14)4-9(11)13/h2-6H,1H3,(H3,15,16,17).
What are the key properties of 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine?
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine has a molecular weight of 312.60 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).