[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol

C8H8BrF2NO2 — CID 130068890

IUPAC[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
SMILESCOc1c(C(F)F)cc(Br)nc1CO
InChIInChI=1S/C8H8BrF2NO2/c1-14-7-4(8(10)11)2-6(9)12-5(7)3-13/h2,8,13H,3H2,1H3
InChIKeyAEOPFUZVRMRBID-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.28
Rot. Bonds3

About [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol

[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol (PubChem CID 130068890) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
PubChem CID130068890
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
SMILESCOc1c(C(F)F)cc(Br)nc1CO
InChIInChI=1S/C8H8BrF2NO2/c1-14-7-4(8(10)11)2-6(9)12-5(7)3-13/h2,8,13H,3H2,1H3
InChIKeyAEOPFUZVRMRBID-UHFFFAOYSA-N
XLogP2.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 52.28
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)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087924
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671675
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
6-bromo-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130068624
[4-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanamine
CID 118819899
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
CID 118809962

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol (CID 130068890) is [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol is COc1c(C(F)F)cc(Br)nc1CO.
What is the InChIKey of [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol?
The InChIKey is AEOPFUZVRMRBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c1-14-7-4(8(10)11)2-6(9)12-5(7)3-13/h2,8,13H,3H2,1H3.
What are the key properties of [6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol?
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol has a molecular weight of 268.06 g/mol, XLogP of 2.28, 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)-3-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 130068890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).