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

C12H11BrClN3 — CID 104506339

IUPAC3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2ccccc2Cl)c1Br
InChIInChI=1S/C12H11BrClN3/c1-7-9(15)6-16-12(11(7)13)17-10-5-3-2-4-8(10)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKHLOCQUZDYUOQN-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.13
Rot. Bonds2

About 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 104506339) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
PubChem CID104506339
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(Nc2ccccc2Cl)c1Br
InChIInChI=1S/C12H11BrClN3/c1-7-9(15)6-16-12(11(7)13)17-10-5-3-2-4-8(10)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyKHLOCQUZDYUOQN-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine (CID 104506339) is 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(Nc2ccccc2Cl)c1Br.
What is the InChIKey of 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is KHLOCQUZDYUOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-9(15)6-16-12(11(7)13)17-10-5-3-2-4-8(10)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-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 3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).