[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol

C9H11F2NO2 — CID 118820631

IUPAC[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol
SMILESCOc1cc(C)c(CO)c(C(F)F)n1
InChIInChI=1S/C9H11F2NO2/c1-5-3-7(14-2)12-8(9(10)11)6(5)4-13/h3,9,13H,4H2,1-2H3
InChIKeySUUYMFCPVIFGEP-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.83
Rot. Bonds3

About [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol

[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol (PubChem CID 118820631) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol
PubChem CID118820631
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol
SMILESCOc1cc(C)c(CO)c(C(F)F)n1
InChIInChI=1S/C9H11F2NO2/c1-5-3-7(14-2)12-8(9(10)11)6(5)4-13/h3,9,13H,4H2,1-2H3
InChIKeySUUYMFCPVIFGEP-UHFFFAOYSA-N
XLogP1.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol (CID 118820631) is [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol is COc1cc(C)c(CO)c(C(F)F)n1.
What is the InChIKey of [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol?
The InChIKey is SUUYMFCPVIFGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-5-3-7(14-2)12-8(9(10)11)6(5)4-13/h3,9,13H,4H2,1-2H3.
What are the key properties of [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol?
[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol has a molecular weight of 203.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 118820631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).