5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine

C12H12BrN3 — CID 175194478

IUPAC5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine
SMILESCc1nc(N)c(Nc2ccccc2)cc1Br
InChIInChI=1S/C12H12BrN3/c1-8-10(13)7-11(12(14)15-8)16-9-5-3-2-4-6-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyKJWRGBSWIAXUBO-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.48
Rot. Bonds2

About 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine

5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine (PubChem CID 175194478) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine
PubChem CID175194478
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine
SMILESCc1nc(N)c(Nc2ccccc2)cc1Br
InChIInChI=1S/C12H12BrN3/c1-8-10(13)7-11(12(14)15-8)16-9-5-3-2-4-6-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyKJWRGBSWIAXUBO-UHFFFAOYSA-N
XLogP3.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5-tetrabromo-N-phenylaniline
CID 101290824
3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
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CID 81060687
5-bromo-2-N-phenylpyrazine-2,3-diamine
CID 91037057
5-bromo-3-N-phenylpyrazine-2,3-diamine
CID 139077006
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
3-bromo-N-phenylpyridin-4-amine
CID 10634327
2-bromo-4-fluoro-N-phenylaniline
CID 121009691
5-bromo-3-(difluoromethyl)-6-methylpyridin-2-amine
CID 130101784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine?
The IUPAC name of 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine (CID 175194478) is 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine?
The canonical SMILES for 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine is Cc1nc(N)c(Nc2ccccc2)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine?
The InChIKey is KJWRGBSWIAXUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-10(13)7-11(12(14)15-8)16-9-5-3-2-4-6-9/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine?
5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine has a molecular weight of 278.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-N-phenylpyridine-2,3-diamine is sourced from PubChem (CID 175194478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).