[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol

C9H8F5NO2 — CID 133099748

IUPAC[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1nc(CO)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C9H8F5NO2/c1-17-8-4(7(10)11)2-5(9(12,13)14)6(3-16)15-8/h2,7,16H,3H2,1H3
InChIKeyBSCHSRPIWGLFKF-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.54
Rot. Bonds3

About [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol

[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 133099748) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID133099748
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCOc1nc(CO)c(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C9H8F5NO2/c1-17-8-4(7(10)11)2-5(9(12,13)14)6(3-16)15-8/h2,7,16H,3H2,1H3
InChIKeyBSCHSRPIWGLFKF-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

[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445
[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851695
[5-(difluoromethyl)-6-methoxy-3-methyl-2-pyridinyl]methanamine
CID 118831411
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118809943
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol (CID 133099748) is [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol is COc1nc(CO)c(C(F)(F)F)cc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is BSCHSRPIWGLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c1-17-8-4(7(10)11)2-5(9(12,13)14)6(3-16)15-8/h2,7,16H,3H2,1H3.
What are the key properties of [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol?
[5-(difluoromethyl)-6-methoxy-3-(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 [5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 133099748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).