2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol

C12H7F3N2O3 — CID 174575917

IUPAC2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol
SMILESO=[N+]([O-])c1ccc(-c2ccccc2O)nc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)11-9(17(19)20)6-5-8(16-11)7-3-1-2-4-10(7)18/h1-6,18H
InChIKeyLDIDFGAALCHZMQ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.38
Rot. Bonds2

About 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol

2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 174575917) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID174575917
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol
SMILESO=[N+]([O-])c1ccc(-c2ccccc2O)nc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O3/c13-12(14,15)11-9(17(19)20)6-5-8(16-11)7-3-1-2-4-10(7)18/h1-6,18H
InChIKeyLDIDFGAALCHZMQ-UHFFFAOYSA-N
XLogP3.38
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.38
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

6-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134675700
2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
CID 3702104
3-nitro-5-[2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzene-1,2-diol
CID 68700782
7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline
CID 146306890
4-nitro-2-(trifluoromethyl)quinoline
CID 19034696
1-methyl-3-(2-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 21283770
2-[5-chloro-7-nitro-4-(trifluoromethyl)quinolin-8-yl]phenol;hydrochloride
CID 175500890
2-(2-hydroxyphenyl)-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 898212
(1R)-2,2,2-trifluoro-1-(4-nitronaphthalen-1-yl)ethanol
CID 163696387
3-nitro-2-(trifluoromethyl)benzenethiol
CID 171000764
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 134627087

Frequently Asked Questions

What is the IUPAC name of 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol (CID 174575917) is 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol is O=[N+]([O-])c1ccc(-c2ccccc2O)nc1C(F)(F)F.
What is the InChIKey of 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is LDIDFGAALCHZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c13-12(14,15)11-9(17(19)20)6-5-8(16-11)7-3-1-2-4-10(7)18/h1-6,18H.
What are the key properties of 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol?
2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 284.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 174575917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).