2-[(2,5-dibromophenyl)methyl]pyridine

C12H9Br2N — CID 152592828

IUPAC2-[(2,5-dibromophenyl)methyl]pyridine
SMILESBrc1ccc(Br)c(Cc2ccccn2)c1
InChIInChI=1S/C12H9Br2N/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h1-7H,8H2
InChIKeyYVVJXOLZMNMJHE-UHFFFAOYSA-N
MW327.02 g/mol
LogP4.20
Rot. Bonds2

About 2-[(2,5-dibromophenyl)methyl]pyridine

2-[(2,5-dibromophenyl)methyl]pyridine (PubChem CID 152592828) has the molecular formula C12H9Br2N and a molecular weight of 327.02 g/mol. Its IUPAC name is 2-[(2,5-dibromophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(2,5-dibromophenyl)methyl]pyridine
PubChem CID152592828
Molecular FormulaC12H9Br2N
Molecular Weight327.02 g/mol
Exact Mass324.91
IUPAC Name2-[(2,5-dibromophenyl)methyl]pyridine
SMILESBrc1ccc(Br)c(Cc2ccccn2)c1
InChIInChI=1S/C12H9Br2N/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h1-7H,8H2
InChIKeyYVVJXOLZMNMJHE-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.02
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-nitrophenyl)methyl]pyridine
CID 158574043
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-bromo-N-methylaniline
CID 71033744
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
2,4-dibromo-N-(2-pyridin-2-ylethyl)aniline
CID 54952691
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromophenyl)methyl]pyridine?
The IUPAC name of 2-[(2,5-dibromophenyl)methyl]pyridine (CID 152592828) is 2-[(2,5-dibromophenyl)methyl]pyridine.
What is the SMILES notation for 2-[(2,5-dibromophenyl)methyl]pyridine?
The canonical SMILES for 2-[(2,5-dibromophenyl)methyl]pyridine is Brc1ccc(Br)c(Cc2ccccn2)c1.
What is the InChIKey of 2-[(2,5-dibromophenyl)methyl]pyridine?
The InChIKey is YVVJXOLZMNMJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N/c13-10-4-5-12(14)9(7-10)8-11-3-1-2-6-15-11/h1-7H,8H2.
What are the key properties of 2-[(2,5-dibromophenyl)methyl]pyridine?
2-[(2,5-dibromophenyl)methyl]pyridine has a molecular weight of 327.02 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromophenyl)methyl]pyridine is sourced from PubChem (CID 152592828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).