[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol

C8H5BrF5NO2 — CID 119003837

IUPAC[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Br)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5BrF5NO2/c9-6-5(17-8(12,13)14)4(7(10)11)3(2-16)1-15-6/h1,7,16H,2H2
InChIKeyNZRGGRWRZBFPPP-UHFFFAOYSA-N
MW322.03 g/mol
LogP3.17
Rot. Bonds3

About [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol

[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 119003837) has the molecular formula C8H5BrF5NO2 and a molecular weight of 322.03 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID119003837
Molecular FormulaC8H5BrF5NO2
Molecular Weight322.03 g/mol
Exact Mass320.94
IUPAC Name[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Br)c(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5BrF5NO2/c9-6-5(17-8(12,13)14)4(7(10)11)3(2-16)1-15-6/h1,7,16H,2H2
InChIKeyNZRGGRWRZBFPPP-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.03
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118806347
[6-bromo-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118999574
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119005700
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
2-[4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118849917
methyl 2-[6-bromo-5-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133087735
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
CID 130095199

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol (CID 119003837) is [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1cnc(Br)c(OC(F)(F)F)c1C(F)F.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is NZRGGRWRZBFPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO2/c9-6-5(17-8(12,13)14)4(7(10)11)3(2-16)1-15-6/h1,7,16H,2H2.
What are the key properties of [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol?
[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 322.03 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 119003837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).