[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone

C13H8BrF2NO — CID 23028700

IUPAC[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1ccc(CBr)cn1)c1cc(F)ccc1F
InChIInChI=1S/C13H8BrF2NO/c14-6-8-1-4-12(17-7-8)13(18)10-5-9(15)2-3-11(10)16/h1-5,7H,6H2
InChIKeyGDPKXOLGVRGRHW-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.49
Rot. Bonds3

About [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone

[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone (PubChem CID 23028700) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone
PubChem CID23028700
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1ccc(CBr)cn1)c1cc(F)ccc1F
InChIInChI=1S/C13H8BrF2NO/c14-6-8-1-4-12(17-7-8)13(18)10-5-9(15)2-3-11(10)16/h1-5,7H,6H2
InChIKeyGDPKXOLGVRGRHW-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(2,5-difluorobenzoyl)-3-pyridinyl]methyl acetate
CID 23114640
(2,5-difluorophenyl)-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
CID 71420464
(5-amino-2-pyridinyl)-(5-bromo-2-fluorophenyl)methanone
CID 116605258
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
5-(bromomethyl)-N-methylpyridine-2-carboxamide
CID 166088325
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
CID 59627441
(2-bromophenyl)-(2,5-difluorophenyl)methanone
CID 43159861
2-bromo-1-(2,5-difluorophenyl)-2,2-difluoroethanone
CID 130136879
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
2-(5-bromo-2-pyridinyl)-1-(2,5-difluorophenyl)ethanone
CID 104798897

Frequently Asked Questions

What is the IUPAC name of [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone (CID 23028700) is [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone is O=C(c1ccc(CBr)cn1)c1cc(F)ccc1F.
What is the InChIKey of [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone?
The InChIKey is GDPKXOLGVRGRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-6-8-1-4-12(17-7-8)13(18)10-5-9(15)2-3-11(10)16/h1-5,7H,6H2.
What are the key properties of [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone?
[5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone has a molecular weight of 312.11 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(bromomethyl)-2-pyridinyl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 23028700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).