6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol

C7H5F3N2O5 — CID 134664304

IUPAC6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
SMILESO=[N+]([O-])c1nc(CO)c(OC(F)(F)F)cc1O
InChIInChI=1S/C7H5F3N2O5/c8-7(9,10)17-5-1-4(14)6(12(15)16)11-3(5)2-13/h1,13-14H,2H2
InChIKeyFGDPNZMAOLMIMF-UHFFFAOYSA-N
MW254.12 g/mol
LogP1.09
Rot. Bonds3

About 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol

6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 134664304) has the molecular formula C7H5F3N2O5 and a molecular weight of 254.12 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID134664304
Molecular FormulaC7H5F3N2O5
Molecular Weight254.12 g/mol
Exact Mass254.02
IUPAC Name6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
SMILESO=[N+]([O-])c1nc(CO)c(OC(F)(F)F)cc1O
InChIInChI=1S/C7H5F3N2O5/c8-7(9,10)17-5-1-4(14)6(12(15)16)11-3(5)2-13/h1,13-14H,2H2
InChIKeyFGDPNZMAOLMIMF-UHFFFAOYSA-N
XLogP1.09
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
5-hydroxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134666720
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932
[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134664971
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
CID 118804281
2-[5-fluoro-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134664833
[3-iodo-2-nitro-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681073
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol (CID 134664304) is 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol is O=[N+]([O-])c1nc(CO)c(OC(F)(F)F)cc1O.
What is the InChIKey of 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is FGDPNZMAOLMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O5/c8-7(9,10)17-5-1-4(14)6(12(15)16)11-3(5)2-13/h1,13-14H,2H2.
What are the key properties of 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol?
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 254.12 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 134664304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).