[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol

C7H6F3NO — CID 130096431

IUPAC[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
SMILESOCc1c(F)ccnc1C(F)F
InChIInChI=1S/C7H6F3NO/c8-5-1-2-11-6(7(9)10)4(5)3-12/h1-2,7,12H,3H2
InChIKeyQCSLTGNSKRCISS-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.65
Rot. Bonds2

About [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol

[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol (PubChem CID 130096431) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
PubChem CID130096431
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
SMILESOCc1c(F)ccnc1C(F)F
InChIInChI=1S/C7H6F3NO/c8-5-1-2-11-6(7(9)10)4(5)3-12/h1-2,7,12H,3H2
InChIKeyQCSLTGNSKRCISS-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

[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
2-(difluoromethyl)-4-(hydroxymethyl)pyridin-3-ol
CID 118820346
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
(4-fluoro-2-methoxy-3-pyridinyl)methanol
CID 131145721
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
CID 130096732
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
6-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)pyridin-3-ol
CID 130079568
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
[2-(difluoromethyl)-4-fluoro-5-methoxy-3-pyridinyl]methanol
CID 130080710

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol (CID 130096431) is [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol is OCc1c(F)ccnc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The InChIKey is QCSLTGNSKRCISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-5-1-2-11-6(7(9)10)4(5)3-12/h1-2,7,12H,3H2.
What are the key properties of [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
[2-(difluoromethyl)-4-fluoro-3-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 [2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 130096431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).