[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol

C14H10BrF4NO3 — CID 10971303

IUPAC[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
SMILESOC(c1ccc(Br)nc1)c1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C14H10BrF4NO3/c15-11-4-2-8(6-20-11)12(21)7-1-3-9(22-13(16)17)10(5-7)23-14(18)19/h1-6,12-14,21H
InChIKeyUTAUAGAGGSNWOI-UHFFFAOYSA-N
MW396.13 g/mol
LogP4.13
Rot. Bonds6

About [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol

[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol (PubChem CID 10971303) has the molecular formula C14H10BrF4NO3 and a molecular weight of 396.13 g/mol. Its IUPAC name is [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol.

Molecular Properties

Compound Name[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
PubChem CID10971303
Molecular FormulaC14H10BrF4NO3
Molecular Weight396.13 g/mol
Exact Mass394.98
IUPAC Name[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
SMILESOC(c1ccc(Br)nc1)c1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C14H10BrF4NO3/c15-11-4-2-8(6-20-11)12(21)7-1-3-9(22-13(16)17)10(5-7)23-14(18)19/h1-6,12-14,21H
InChIKeyUTAUAGAGGSNWOI-UHFFFAOYSA-N
XLogP4.13
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.13
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
The IUPAC name of [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol (CID 10971303) is [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol.
What is the SMILES notation for [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
The canonical SMILES for [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol is OC(c1ccc(Br)nc1)c1ccc(OC(F)F)c(OC(F)F)c1.
What is the InChIKey of [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
The InChIKey is UTAUAGAGGSNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO3/c15-11-4-2-8(6-20-11)12(21)7-1-3-9(22-13(16)17)10(5-7)23-14(18)19/h1-6,12-14,21H.
What are the key properties of [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol has a molecular weight of 396.13 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol is sourced from PubChem (CID 10971303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).