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

C8H7F3N2O5 — CID 134677932

IUPAC[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1nc([N+](=O)[O-])c(CO)cc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O5/c1-17-7-5(18-8(9,10)11)2-4(3-14)6(12-7)13(15)16/h2,14H,3H2,1H3
InChIKeyCTCGLRBTWAOXBX-UHFFFAOYSA-N
MW268.15 g/mol
LogP1.39
Rot. Bonds4

About [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol

[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134677932) has the molecular formula C8H7F3N2O5 and a molecular weight of 268.15 g/mol. Its IUPAC name is [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134677932
Molecular FormulaC8H7F3N2O5
Molecular Weight268.15 g/mol
Exact Mass268.03
IUPAC Name[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1nc([N+](=O)[O-])c(CO)cc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O5/c1-17-7-5(18-8(9,10)11)2-4(3-14)6(12-7)13(15)16/h2,14H,3H2,1H3
InChIKeyCTCGLRBTWAOXBX-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-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134664971
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
[3-iodo-2-nitro-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681073
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134677932) is [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol is COc1nc([N+](=O)[O-])c(CO)cc1OC(F)(F)F.
What is the InChIKey of [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is CTCGLRBTWAOXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O5/c1-17-7-5(18-8(9,10)11)2-4(3-14)6(12-7)13(15)16/h2,14H,3H2,1H3.
What are the key properties of [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol?
[6-methoxy-2-nitro-5-(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 [6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134677932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).