5-bromo-3-methyl-2-(2-phenylethynyl)pyridine

C14H10BrN — CID 132542056

IUPAC5-bromo-3-methyl-2-(2-phenylethynyl)pyridine
SMILESCc1cc(Br)cnc1C#Cc1ccccc1
InChIInChI=1S/C14H10BrN/c1-11-9-13(15)10-16-14(11)8-7-12-5-3-2-4-6-12/h2-6,9-10H,1H3
InChIKeyVPCJKUNFRMACSB-UHFFFAOYSA-N
MW272.15 g/mol
LogP3.55
Rot. Bonds

About 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine

5-bromo-3-methyl-2-(2-phenylethynyl)pyridine (PubChem CID 132542056) has the molecular formula C14H10BrN and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(2-phenylethynyl)pyridine
PubChem CID132542056
Molecular FormulaC14H10BrN
Molecular Weight272.15 g/mol
Exact Mass271.00
IUPAC Name5-bromo-3-methyl-2-(2-phenylethynyl)pyridine
SMILESCc1cc(Br)cnc1C#Cc1ccccc1
InChIInChI=1S/C14H10BrN/c1-11-9-13(15)10-16-14(11)8-7-12-5-3-2-4-6-12/h2-6,9-10H,1H3
InChIKeyVPCJKUNFRMACSB-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]benzoic acid
CID 79713427
5-bromo-3-[2-(3-methyl-2-pyridinyl)ethynyl]-1H-pyrrolo[2,3-b]pyridine
CID 168973130
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline
CID 67685866
1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
CID 83170863
5-bromo-2-[2-(4-methylphenyl)ethynyl]pyridine
CID 132542048
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
CID 10939703
CID 10939703
1,4-dimethyl-2,3,5,6-tetrakis(2-phenylethynyl)benzene
CID 21461448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine?
The IUPAC name of 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine (CID 132542056) is 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine is Cc1cc(Br)cnc1C#Cc1ccccc1.
What is the InChIKey of 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine?
The InChIKey is VPCJKUNFRMACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN/c1-11-9-13(15)10-16-14(11)8-7-12-5-3-2-4-6-12/h2-6,9-10H,1H3.
What are the key properties of 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine?
5-bromo-3-methyl-2-(2-phenylethynyl)pyridine has a molecular weight of 272.15 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(2-phenylethynyl)pyridine is sourced from PubChem (CID 132542056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).