[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol

C7H6BrF2NO — CID 130095199

IUPAC[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cncc(Br)c1C(F)F
InChIInChI=1S/C7H6BrF2NO/c8-5-2-11-1-4(3-12)6(5)7(9)10/h1-2,7,12H,3H2
InChIKeyMXFJIPDHGVXPSJ-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.27
Rot. Bonds2

About [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol

[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 130095199) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID130095199
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cncc(Br)c1C(F)F
InChIInChI=1S/C7H6BrF2NO/c8-5-2-11-1-4(3-12)6(5)7(9)10/h1-2,7,12H,3H2
InChIKeyMXFJIPDHGVXPSJ-UHFFFAOYSA-N
XLogP2.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-bromo-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118999574
(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol
CID 164895693
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
1-[5-bromo-4-(difluoromethyl)-3-pyridinyl]ethanamine
CID 131128339
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119020401
1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol
CID 170819235
[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119003837
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130102040
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
(4-bromo-3-pyridinyl)methanol;hydrochloride
CID 71669148

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol (CID 130095199) is [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol is OCc1cncc(Br)c1C(F)F.
What is the InChIKey of [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is MXFJIPDHGVXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c8-5-2-11-1-4(3-12)6(5)7(9)10/h1-2,7,12H,3H2.
What are the key properties of [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol?
[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 238.03 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130095199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).