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

C13H12Br2N2 — CID 105366810

IUPAC3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(NCc2ccccc2Br)c(Br)c1
InChIInChI=1S/C13H12Br2N2/c1-9-6-12(15)13(16-7-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNKRPGMPMAYTHJO-UHFFFAOYSA-N
MW356.06 g/mol
LogP4.53
Rot. Bonds3

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

3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine (PubChem CID 105366810) has the molecular formula C13H12Br2N2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
PubChem CID105366810
Molecular FormulaC13H12Br2N2
Molecular Weight356.06 g/mol
Exact Mass353.94
IUPAC Name3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
SMILESCc1cnc(NCc2ccccc2Br)c(Br)c1
InChIInChI=1S/C13H12Br2N2/c1-9-6-12(15)13(16-7-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNKRPGMPMAYTHJO-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-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 105366749
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-phenylethanol
CID 105366704
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine (CID 105366810) is 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine is Cc1cnc(NCc2ccccc2Br)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine?
The InChIKey is NKRPGMPMAYTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2/c1-9-6-12(15)13(16-7-9)17-8-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine?
3-bromo-N-[(2-bromophenyl)methyl]-5-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 3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105366810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).