[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol

C9H8F5NO — CID 118826518

IUPAC[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1cnc(C(F)F)c(CO)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-2-15-7(8(10)11)5(3-16)6(4)9(12,13)14/h2,8,16H,3H2,1H3
InChIKeyVDDANDBYIVHTNJ-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.84
Rot. Bonds2

About [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol

[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118826518) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118826518
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1cnc(C(F)F)c(CO)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO/c1-4-2-15-7(8(10)11)5(3-16)6(4)9(12,13)14/h2,8,16H,3H2,1H3
InChIKeyVDDANDBYIVHTNJ-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 130085374
ethyl 2-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029266
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 130107749
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
ethyl 2-[5-bromo-2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134685359

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 118826518) is [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol is Cc1cnc(C(F)F)c(CO)c1C(F)(F)F.
What is the InChIKey of [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is VDDANDBYIVHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-4-2-15-7(8(10)11)5(3-16)6(4)9(12,13)14/h2,8,16H,3H2,1H3.
What are the key properties of [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 241.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118826518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).