5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine

C13H12Br2N2 — CID 79718282

IUPAC5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1cccc(Br)c1
InChIInChI=1S/C13H12Br2N2/c1-9-5-12(15)8-17-13(9)16-7-10-3-2-4-11(14)6-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyYWNNAYIKBCLEBL-UHFFFAOYSA-N
MW356.06 g/mol
LogP4.53
Rot. Bonds3

About 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine

5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine (PubChem CID 79718282) has the molecular formula C13H12Br2N2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
PubChem CID79718282
Molecular FormulaC13H12Br2N2
Molecular Weight356.06 g/mol
Exact Mass353.94
IUPAC Name5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCc1cccc(Br)c1
InChIInChI=1S/C13H12Br2N2/c1-9-5-12(15)8-17-13(9)16-7-10-3-2-4-11(14)6-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyYWNNAYIKBCLEBL-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
CID 133373833
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133374157
5-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115148571
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
5-bromo-N-[(3-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903272
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
4-N-[(3-bromophenyl)methyl]-2,6-dimethylpyrimidine-4,5-diamine
CID 158200511

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine (CID 79718282) is 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCc1cccc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine?
The InChIKey is YWNNAYIKBCLEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2/c1-9-5-12(15)8-17-13(9)16-7-10-3-2-4-11(14)6-10/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine?
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine has a molecular weight of 356.06 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79718282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).