2-bromo-4-(2,4,6-trimethylphenyl)pyridine

C14H14BrN — CID 168984492

IUPAC2-bromo-4-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2ccnc(Br)c2)c(C)c1
InChIInChI=1S/C14H14BrN/c1-9-6-10(2)14(11(3)7-9)12-4-5-16-13(15)8-12/h4-8H,1-3H3
InChIKeyOGQNQEVPNFFNIC-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.44
Rot. Bonds1

About 2-bromo-4-(2,4,6-trimethylphenyl)pyridine

2-bromo-4-(2,4,6-trimethylphenyl)pyridine (PubChem CID 168984492) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-bromo-4-(2,4,6-trimethylphenyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-(2,4,6-trimethylphenyl)pyridine
PubChem CID168984492
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name2-bromo-4-(2,4,6-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2ccnc(Br)c2)c(C)c1
InChIInChI=1S/C14H14BrN/c1-9-6-10(2)14(11(3)7-9)12-4-5-16-13(15)8-12/h4-8H,1-3H3
InChIKeyOGQNQEVPNFFNIC-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4,6-bis(2,4,6-trimethylphenyl)pyridine
CID 131964998
2-bromo-4-[2-[4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-4-pyridinyl]pyridine
CID 10841592
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174
2-bromo-4-methylpyridine;2,4-dimethylpyridine
CID 158791384
2-bromo-4-(4-propan-2-ylphenyl)pyridine
CID 83744883
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
CID 23435665
2-chloro-4-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4,6-dimethylphenyl]pyridine
CID 173054784
2,4-dibromopyridine
CID 817104
4-bromo-5,7-dimethylquinoline
CID 39346126
2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
CID 154609906

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,4,6-trimethylphenyl)pyridine?
The IUPAC name of 2-bromo-4-(2,4,6-trimethylphenyl)pyridine (CID 168984492) is 2-bromo-4-(2,4,6-trimethylphenyl)pyridine.
What is the SMILES notation for 2-bromo-4-(2,4,6-trimethylphenyl)pyridine?
The canonical SMILES for 2-bromo-4-(2,4,6-trimethylphenyl)pyridine is Cc1cc(C)c(-c2ccnc(Br)c2)c(C)c1.
What is the InChIKey of 2-bromo-4-(2,4,6-trimethylphenyl)pyridine?
The InChIKey is OGQNQEVPNFFNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-9-6-10(2)14(11(3)7-9)12-4-5-16-13(15)8-12/h4-8H,1-3H3.
What are the key properties of 2-bromo-4-(2,4,6-trimethylphenyl)pyridine?
2-bromo-4-(2,4,6-trimethylphenyl)pyridine has a molecular weight of 276.18 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,4,6-trimethylphenyl)pyridine is sourced from PubChem (CID 168984492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).