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

C8H6F4N2O3 — CID 118826412

IUPAC2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
SMILESCc1cc([N+](=O)[O-])c(OC(F)(F)F)c(CF)n1
InChIInChI=1S/C8H6F4N2O3/c1-4-2-6(14(15)16)7(5(3-9)13-4)17-8(10,11)12/h2H,3H2,1H3
InChIKeyQKQCRPNMSSYTJM-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.67
Rot. Bonds3

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

2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 118826412) has the molecular formula C8H6F4N2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
PubChem CID118826412
Molecular FormulaC8H6F4N2O3
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
SMILESCc1cc([N+](=O)[O-])c(OC(F)(F)F)c(CF)n1
InChIInChI=1S/C8H6F4N2O3/c1-4-2-6(14(15)16)7(5(3-9)13-4)17-8(10,11)12/h2H,3H2,1H3
InChIKeyQKQCRPNMSSYTJM-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

2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466
6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111847
2-(fluoromethyl)-3-iodo-5-nitro-4-(trifluoromethoxy)pyridine
CID 118848741
6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134660245
2-[6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133096243
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
4-(fluoromethyl)-2-iodo-5-nitro-3-(trifluoromethoxy)pyridine
CID 118801353
methyl 2-[6-fluoro-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680834
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
6-bromo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096300
methyl 2-[6-iodo-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665848

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine (CID 118826412) is 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine is Cc1cc([N+](=O)[O-])c(OC(F)(F)F)c(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is QKQCRPNMSSYTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O3/c1-4-2-6(14(15)16)7(5(3-9)13-4)17-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine?
2-(fluoromethyl)-6-methyl-4-nitro-3-(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 2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118826412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).