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

C8H8BrF2NO2 — CID 130068911

IUPAC[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
SMILESCOc1nc(CO)c(C(F)F)cc1Br
InChIInChI=1S/C8H8BrF2NO2/c1-14-8-5(9)2-4(7(10)11)6(3-13)12-8/h2,7,13H,3H2,1H3
InChIKeyNQICISVRXIGWSQ-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.28
Rot. Bonds3

About [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol

[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol (PubChem CID 130068911) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
PubChem CID130068911
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
SMILESCOc1nc(CO)c(C(F)F)cc1Br
InChIInChI=1S/C8H8BrF2NO2/c1-14-8-5(9)2-4(7(10)11)6(3-13)12-8/h2,7,13H,3H2,1H3
InChIKeyNQICISVRXIGWSQ-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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Related Compounds

[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
[6-bromo-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 119000833
[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118809943
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
[6-bromo-4-(difluoromethyl)-3-methoxy-2-pyridinyl]methanol
CID 130068890
[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
5-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 134660021
[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol?
The IUPAC name of [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol (CID 130068911) is [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol is COc1nc(CO)c(C(F)F)cc1Br.
What is the InChIKey of [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol?
The InChIKey is NQICISVRXIGWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c1-14-8-5(9)2-4(7(10)11)6(3-13)12-8/h2,7,13H,3H2,1H3.
What are the key properties of [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol?
[5-bromo-3-(difluoromethyl)-6-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 [5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 130068911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).