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

C8H8F3NO — CID 130081112

IUPAC[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
SMILESCc1cnc(CO)c(C(F)F)c1F
InChIInChI=1S/C8H8F3NO/c1-4-2-12-5(3-13)6(7(4)9)8(10)11/h2,8,13H,3H2,1H3
InChIKeyIGCVHWGMUITTIP-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.96
Rot. Bonds2

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

[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol (PubChem CID 130081112) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
PubChem CID130081112
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
SMILESCc1cnc(CO)c(C(F)F)c1F
InChIInChI=1S/C8H8F3NO/c1-4-2-12-5(3-13)6(7(4)9)8(10)11/h2,8,13H,3H2,1H3
InChIKeyIGCVHWGMUITTIP-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
CID 130088275
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075
[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130070839
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol (CID 130081112) is [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol is Cc1cnc(CO)c(C(F)F)c1F.
What is the InChIKey of [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol?
The InChIKey is IGCVHWGMUITTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-2-12-5(3-13)6(7(4)9)8(10)11/h2,8,13H,3H2,1H3.
What are the key properties of [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol?
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol has a molecular weight of 191.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 130081112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).