[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol

C8H7F3N2O5 — CID 134682011

IUPAC[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1ncc(OC(F)(F)F)c(CO)c1[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O5/c1-17-7-6(13(15)16)4(3-14)5(2-12-7)18-8(9,10)11/h2,14H,3H2,1H3
InChIKeyIJZYILGLUGHJOK-UHFFFAOYSA-N
MW268.15 g/mol
LogP1.39
Rot. Bonds4

About [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol

[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134682011) has the molecular formula C8H7F3N2O5 and a molecular weight of 268.15 g/mol. Its IUPAC name is [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134682011
Molecular FormulaC8H7F3N2O5
Molecular Weight268.15 g/mol
Exact Mass268.03
IUPAC Name[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1ncc(OC(F)(F)F)c(CO)c1[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O5/c1-17-7-6(13(15)16)4(3-14)5(2-12-7)18-8(9,10)11/h2,14H,3H2,1H3
InChIKeyIJZYILGLUGHJOK-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

[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
ethyl 2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134670204
ethyl 2-[5-methoxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662679
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 118845540
4-(chloromethyl)-2-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134681677
[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134682011) is [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol is COc1ncc(OC(F)(F)F)c(CO)c1[N+](=O)[O-].
What is the InChIKey of [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is IJZYILGLUGHJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O5/c1-17-7-6(13(15)16)4(3-14)5(2-12-7)18-8(9,10)11/h2,14H,3H2,1H3.
What are the key properties of [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol?
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-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 [2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134682011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).