2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane

C25H25Br4N2OP — CID 159553182

IUPAC2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane
SMILESBrCc1ccc(-c2ccccn2)cc1.BrP(Br)Br.C.OCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H10BrN.C12H11NO.CH4.Br3P/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12;;1-4(2)3/h1-8H,9H2;1-8,14H,9H2;1H4;
InChIKeyMFQREHHYGZIDMQ-UHFFFAOYSA-N
MW720.08 g/mol
LogP9.92
Rot. Bonds4

About 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane

2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane (PubChem CID 159553182) has the molecular formula C25H25Br4N2OP and a molecular weight of 720.08 g/mol. Its IUPAC name is 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane.

Molecular Properties

Compound Name2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane
PubChem CID159553182
Molecular FormulaC25H25Br4N2OP
Molecular Weight720.08 g/mol
Exact Mass715.84
IUPAC Name2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane
SMILESBrCc1ccc(-c2ccccn2)cc1.BrP(Br)Br.C.OCc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C12H10BrN.C12H11NO.CH4.Br3P/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12;;1-4(2)3/h1-8H,9H2;1-8,14H,9H2;1H4;
InChIKeyMFQREHHYGZIDMQ-UHFFFAOYSA-N
XLogP9.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.08
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methanol
CID 71437815
CID 161183409
CID 161183409
ethane;2-(4-propylphenyl)pyridine
CID 158701503
(4-pyridin-2-ylphenyl)methanesulfinic acid
CID 174730201
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
1-[[3-(bromomethyl)phenyl]methyl]-2-(4-pyridin-2-ylphenyl)pyridin-1-ium
CID 102250681
2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
CID 11034223
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
trimethyl-[2-(4-pyridin-2-ylphenyl)ethyl]silane
CID 162513339
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
4-(bromomethyl)-3-(4-pyridin-2-ylphenyl)benzoic acid
CID 68550431

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane?
The IUPAC name of 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane (CID 159553182) is 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane.
What is the SMILES notation for 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane?
The canonical SMILES for 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane is BrCc1ccc(-c2ccccn2)cc1.BrP(Br)Br.C.OCc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane?
The InChIKey is MFQREHHYGZIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN.C12H11NO.CH4.Br3P/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12;;1-4(2)3/h1-8H,9H2;1-8,14H,9H2;1H4;.
What are the key properties of 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane?
2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane has a molecular weight of 720.08 g/mol, XLogP of 9.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)phenyl]pyridine;methane;(4-pyridin-2-ylphenyl)methanol;tribromophosphane is sourced from PubChem (CID 159553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).