[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol

C7H6F3NO — CID 130096445

IUPAC[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
SMILESOCc1cc(F)c(C(F)F)cn1
InChIInChI=1S/C7H6F3NO/c8-6-1-4(3-12)11-2-5(6)7(9)10/h1-2,7,12H,3H2
InChIKeyBWYSVAMMASXMDK-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.65
Rot. Bonds2

About [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol

[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol (PubChem CID 130096445) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
PubChem CID130096445
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
SMILESOCc1cc(F)c(C(F)F)cn1
InChIInChI=1S/C7H6F3NO/c8-6-1-4(3-12)11-2-5(6)7(9)10/h1-2,7,12H,3H2
InChIKeyBWYSVAMMASXMDK-UHFFFAOYSA-N
XLogP1.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098028
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
[6-(aminomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118831070
[4,5-di(propan-2-yl)-2-pyridinyl]methanol
CID 177367949
[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 131009331
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol
CID 171157610
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol (CID 130096445) is [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol is OCc1cc(F)c(C(F)F)cn1.
What is the InChIKey of [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
The InChIKey is BWYSVAMMASXMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-6-1-4(3-12)11-2-5(6)7(9)10/h1-2,7,12H,3H2.
What are the key properties of [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol?
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol has a molecular weight of 177.12 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 130096445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).