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

C8H8F3NO — CID 130081099

IUPAC[6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)c(F)nc1C(F)F
InChIInChI=1S/C8H8F3NO/c1-4-2-5(3-13)8(11)12-6(4)7(9)10/h2,7,13H,3H2,1H3
InChIKeyUNWDGHUHHGVISR-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.96
Rot. Bonds2

About [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol

[6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol (PubChem CID 130081099) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol
PubChem CID130081099
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name[6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)c(F)nc1C(F)F
InChIInChI=1S/C8H8F3NO/c1-4-2-5(3-13)8(11)12-6(4)7(9)10/h2,7,13H,3H2,1H3
InChIKeyUNWDGHUHHGVISR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 119006322
6-(difluoromethyl)-2-fluoro-5-methylpyridine-3-carboxamide
CID 118814860
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
CID 130099696
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
[3-(difluoromethyl)-6-fluoro-2-methyl-4-pyridinyl]methanol
CID 130081129
[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069341
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol (CID 130081099) is [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)c(F)nc1C(F)F.
What is the InChIKey of [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol?
The InChIKey is UNWDGHUHHGVISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4-2-5(3-13)8(11)12-6(4)7(9)10/h2,7,13H,3H2,1H3.
What are the key properties of [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol?
[6-(difluoromethyl)-2-fluoro-5-methyl-3-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 [6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 130081099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).