3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine

C8H6F4N2O3 — CID 134680023

IUPAC3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
SMILESCc1cc([N+](=O)[O-])nc(OC(F)(F)F)c1CF
InChIInChI=1S/C8H6F4N2O3/c1-4-2-6(14(15)16)13-7(5(4)3-9)17-8(10,11)12/h2H,3H2,1H3
InChIKeyJDCWRZQTQHSKCW-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.67
Rot. Bonds3

About 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine

3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine (PubChem CID 134680023) has the molecular formula C8H6F4N2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
PubChem CID134680023
Molecular FormulaC8H6F4N2O3
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
SMILESCc1cc([N+](=O)[O-])nc(OC(F)(F)F)c1CF
InChIInChI=1S/C8H6F4N2O3/c1-4-2-6(14(15)16)13-7(5(4)3-9)17-8(10,11)12/h2H,3H2,1H3
InChIKeyJDCWRZQTQHSKCW-UHFFFAOYSA-N
XLogP2.67
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
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

4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095123
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669478
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
3-methyl-6-nitro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 118818568
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
2-nitro-6-(trifluoromethoxy)pyridine
CID 130088847

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine (CID 134680023) is 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine is Cc1cc([N+](=O)[O-])nc(OC(F)(F)F)c1CF.
What is the InChIKey of 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine?
The InChIKey is JDCWRZQTQHSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O3/c1-4-2-6(14(15)16)13-7(5(4)3-9)17-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine?
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine has a molecular weight of 254.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134680023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).