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

C14H10BrF4NO3 — CID 129382065

IUPAC(R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
SMILESO[C@@H](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/t12-/m1/s1
InChIKeyUTAUAGAGGSNWOI-GFCCVEGCSA-N
MW396.13 g/mol
LogP4.13
Rot. Bonds6

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

(R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol (PubChem CID 129382065) has the molecular formula C14H10BrF4NO3 and a molecular weight of 396.13 g/mol. Its IUPAC name is (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol.

Molecular Properties

Compound Name(R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
PubChem CID129382065
Molecular FormulaC14H10BrF4NO3
Molecular Weight396.13 g/mol
Exact Mass394.98
IUPAC Name(R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
SMILESO[C@@H](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/t12-/m1/s1
InChIKeyUTAUAGAGGSNWOI-GFCCVEGCSA-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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Related Compounds

[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
CID 10971303
(R)-[3,4-bis(difluoromethoxy)phenyl]-(3,5-dimethoxyphenyl)methanol
CID 129391775
[3,4-bis(difluoromethoxy)phenyl]-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]methanol
CID 21262801
2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine
CID 11123600
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
methyl 3-[3,4-bis(difluoromethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171865250
(6-bromo-3-pyridinyl)-[10-(methoxymethyl)pyrazino[2,3-b][1,4]benzothiazin-8-yl]methanol
CID 18670260
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylprop-2-en-1-ol
CID 79190781
(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
CID 68522251
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
CID 68523327

Frequently Asked Questions

What is the IUPAC name of (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
The IUPAC name of (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol (CID 129382065) is (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol.
What is the SMILES notation for (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
The canonical SMILES for (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol is O[C@@H](c1ccc(Br)nc1)c1ccc(OC(F)F)c(OC(F)F)c1.
What is the InChIKey of (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
The InChIKey is UTAUAGAGGSNWOI-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol?
(R)-[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 (R)-[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol is sourced from PubChem (CID 129382065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).