[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol

C8H7F3N2O5 — CID 134664971

IUPAC[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1CO
InChIInChI=1S/C8H7F3N2O5/c1-17-5-2-6(18-8(9,10)11)12-7(13(15)16)4(5)3-14/h2,14H,3H2,1H3
InChIKeyAZTWTXSFUMQWBE-UHFFFAOYSA-N
MW268.15 g/mol
LogP1.39
Rot. Bonds4

About [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol

[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134664971) has the molecular formula C8H7F3N2O5 and a molecular weight of 268.15 g/mol. Its IUPAC name is [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134664971
Molecular FormulaC8H7F3N2O5
Molecular Weight268.15 g/mol
Exact Mass268.03
IUPAC Name[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1CO
InChIInChI=1S/C8H7F3N2O5/c1-17-5-2-6(18-8(9,10)11)12-7(13(15)16)4(5)3-14/h2,14H,3H2,1H3
InChIKeyAZTWTXSFUMQWBE-UHFFFAOYSA-N
XLogP1.39
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
[3-iodo-2-nitro-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681073
[2-iodo-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660047
[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
methyl 2-[4-methoxy-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668272
3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134660667
[3-iodo-4-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134664598
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
methyl 2-[2-methoxy-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668032
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134664971) is [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol is COc1cc(OC(F)(F)F)nc([N+](=O)[O-])c1CO.
What is the InChIKey of [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is AZTWTXSFUMQWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O5/c1-17-5-2-6(18-8(9,10)11)12-7(13(15)16)4(5)3-14/h2,14H,3H2,1H3.
What are the key properties of [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 268.15 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134664971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).