[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol

C7H5F3N2O3 — CID 118818553

IUPAC[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(CO)cnc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)6-5(12(14)15)1-4(3-13)2-11-6/h1-2,13H,3H2
InChIKeyMSVGRPADTMSRLO-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.50
Rot. Bonds2

About [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol

[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118818553) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118818553
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(CO)cnc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)6-5(12(14)15)1-4(3-13)2-11-6/h1-2,13H,3H2
InChIKeyMSVGRPADTMSRLO-UHFFFAOYSA-N
XLogP1.50
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[3-methyl-5-nitro-4-(trifluoromethyl)phenyl]methanol
CID 131328459
(8-methoxy-7-nitroquinolin-3-yl)methanol
CID 175831814
[5-methyl-3-nitro-2-(trifluoromethyl)phenyl]methanol
CID 131328449
5-nitro-2-(trifluoromethyl)pyridine-3-thiol
CID 130923500
2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118704084
[4-methyl-2-nitro-5-(trifluoromethyl)phenyl]methanol
CID 131328443
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
CID 18990374
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
[4-nitro-2,3-bis(trifluoromethyl)phenyl]methanol
CID 119020025
sodium 2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 139026452
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930

Frequently Asked Questions

What is the IUPAC name of [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 118818553) is [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol is O=[N+]([O-])c1cc(CO)cnc1C(F)(F)F.
What is the InChIKey of [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is MSVGRPADTMSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)6-5(12(14)15)1-4(3-13)2-11-6/h1-2,13H,3H2.
What are the key properties of [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol?
[5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 222.12 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118818553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).