[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol

C9H8F5NO2 — CID 118851695

IUPAC[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1nc(CO)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO2/c1-17-8-6(9(12,13)14)5(7(10)11)2-4(3-16)15-8/h2,7,16H,3H2,1H3
InChIKeyCJQCSJOIXJBAQH-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.54
Rot. Bonds3

About [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol

[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118851695) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118851695
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1nc(CO)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H8F5NO2/c1-17-8-6(9(12,13)14)5(7(10)11)2-4(3-16)15-8/h2,7,16H,3H2,1H3
InChIKeyCJQCSJOIXJBAQH-UHFFFAOYSA-N
XLogP2.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethyl)-6-methoxy-5-methyl-2-pyridinyl]methanol
CID 118806611
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanol
CID 118846106
6-chloro-4-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine
CID 130073839
[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
[4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118829480
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol (CID 118851695) is [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol is COc1nc(CO)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is CJQCSJOIXJBAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c1-17-8-6(9(12,13)14)5(7(10)11)2-4(3-16)15-8/h2,7,16H,3H2,1H3.
What are the key properties of [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol?
[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 257.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118851695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).