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

C8H8F3NO2 — CID 130080748

IUPAC[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
SMILESCOc1nc(F)cc(CO)c1C(F)F
InChIInChI=1S/C8H8F3NO2/c1-14-8-6(7(10)11)4(3-13)2-5(9)12-8/h2,7,13H,3H2,1H3
InChIKeyQDYUSNHHQVMCQH-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.66
Rot. Bonds3

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

[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol (PubChem CID 130080748) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
PubChem CID130080748
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
SMILESCOc1nc(F)cc(CO)c1C(F)F
InChIInChI=1S/C8H8F3NO2/c1-14-8-6(7(10)11)4(3-13)2-5(9)12-8/h2,7,13H,3H2,1H3
InChIKeyQDYUSNHHQVMCQH-UHFFFAOYSA-N
XLogP1.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
[3-(difluoromethyl)-6-fluoro-2-methyl-4-pyridinyl]methanol
CID 130081129
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
2-[3-(difluoromethyl)-2-methoxy-6-nitro-4-pyridinyl]acetic acid
CID 133099947
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine;[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol
CID 159702476

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol (CID 130080748) is [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol is COc1nc(F)cc(CO)c1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol?
The InChIKey is QDYUSNHHQVMCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-14-8-6(7(10)11)4(3-13)2-5(9)12-8/h2,7,13H,3H2,1H3.
What are the key properties of [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol?
[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol has a molecular weight of 207.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol is sourced from PubChem (CID 130080748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).