3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine

C13H13Br2N3 — CID 104506507

IUPAC3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCc2ccccc2Br)c1Br
InChIInChI=1S/C13H13Br2N3/c1-8-11(16)7-18-13(12(8)15)17-6-9-4-2-3-5-10(9)14/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyGEAYWRPGRHQRCH-UHFFFAOYSA-N
MW371.08 g/mol
LogP4.11
Rot. Bonds3

About 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine

3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine (PubChem CID 104506507) has the molecular formula C13H13Br2N3 and a molecular weight of 371.08 g/mol. Its IUPAC name is 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
PubChem CID104506507
Molecular FormulaC13H13Br2N3
Molecular Weight371.08 g/mol
Exact Mass368.95
IUPAC Name3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCc2ccccc2Br)c1Br
InChIInChI=1S/C13H13Br2N3/c1-8-11(16)7-18-13(12(8)15)17-6-9-4-2-3-5-10(9)14/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyGEAYWRPGRHQRCH-UHFFFAOYSA-N
XLogP4.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 104506785
3-bromo-2-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104506895
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
3-bromo-2-N-(2-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 104506339

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine (CID 104506507) is 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(NCc2ccccc2Br)c1Br.
What is the InChIKey of 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine?
The InChIKey is GEAYWRPGRHQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3/c1-8-11(16)7-18-13(12(8)15)17-6-9-4-2-3-5-10(9)14/h2-5,7H,6,16H2,1H3,(H,17,18).
What are the key properties of 3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine has a molecular weight of 371.08 g/mol, XLogP of 4.11, 3 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-bromophenyl)methyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).