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

C8H8BrF2NO2 — CID 130068920

IUPAC[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
SMILESCOc1cc(C(F)F)nc(CO)c1Br
InChIInChI=1S/C8H8BrF2NO2/c1-14-6-2-4(8(10)11)12-5(3-13)7(6)9/h2,8,13H,3H2,1H3
InChIKeyPBQPMZMQXYFMGA-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.28
Rot. Bonds3

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

[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol (PubChem CID 130068920) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
PubChem CID130068920
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
SMILESCOc1cc(C(F)F)nc(CO)c1Br
InChIInChI=1S/C8H8BrF2NO2/c1-14-6-2-4(8(10)11)12-5(3-13)7(6)9/h2,8,13H,3H2,1H3
InChIKeyPBQPMZMQXYFMGA-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

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
The IUPAC name of [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol (CID 130068920) is [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol is COc1cc(C(F)F)nc(CO)c1Br.
What is the InChIKey of [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
The InChIKey is PBQPMZMQXYFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c1-14-6-2-4(8(10)11)12-5(3-13)7(6)9/h2,8,13H,3H2,1H3.
What are the key properties of [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
[3-bromo-6-(difluoromethyl)-4-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 [3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 130068920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).