2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol

C7H3BrF5NO — CID 119004848

IUPAC2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)F)cc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H3BrF5NO/c8-5-4(15)2(6(9)10)1-3(14-5)7(11,12)13/h1,6,15H
InChIKeyRAGCSGQRJZGXKJ-UHFFFAOYSA-N
MW292.00 g/mol
LogP3.51
Rot. Bonds1

About 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol

2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol (PubChem CID 119004848) has the molecular formula C7H3BrF5NO and a molecular weight of 292.00 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
PubChem CID119004848
Molecular FormulaC7H3BrF5NO
Molecular Weight292.00 g/mol
Exact Mass290.93
IUPAC Name2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)F)cc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H3BrF5NO/c8-5-4(15)2(6(9)10)1-3(14-5)7(11,12)13/h1,6,15H
InChIKeyRAGCSGQRJZGXKJ-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.00
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130108890
3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 119018233
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-ol
CID 118831592
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134674876

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol (CID 119004848) is 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol is Oc1c(C(F)F)cc(C(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol?
The InChIKey is RAGCSGQRJZGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF5NO/c8-5-4(15)2(6(9)10)1-3(14-5)7(11,12)13/h1,6,15H.
What are the key properties of 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol?
2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol has a molecular weight of 292.00 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 119004848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).