4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine

C8H6F4N2O3 — CID 118845540

IUPAC4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
SMILESCc1c([N+](=O)[O-])ncc(OC(F)(F)F)c1CF
InChIInChI=1S/C8H6F4N2O3/c1-4-5(2-9)6(17-8(10,11)12)3-13-7(4)14(15)16/h3H,2H2,1H3
InChIKeySLYUAWYIMDJGGH-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.67
Rot. Bonds3

About 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine

4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine (PubChem CID 118845540) has the molecular formula C8H6F4N2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
PubChem CID118845540
Molecular FormulaC8H6F4N2O3
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
SMILESCc1c([N+](=O)[O-])ncc(OC(F)(F)F)c1CF
InChIInChI=1S/C8H6F4N2O3/c1-4-5(2-9)6(17-8(10,11)12)3-13-7(4)14(15)16/h3H,2H2,1H3
InChIKeySLYUAWYIMDJGGH-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

3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
CID 134664818
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
CID 134678900
ethyl 4-(difluoromethyl)-2-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134669717
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
2-[4-iodo-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118833139
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
ethyl 5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670328
methyl 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677024
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085678
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine (CID 118845540) is 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine is Cc1c([N+](=O)[O-])ncc(OC(F)(F)F)c1CF.
What is the InChIKey of 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine?
The InChIKey is SLYUAWYIMDJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O3/c1-4-5(2-9)6(17-8(10,11)12)3-13-7(4)14(15)16/h3H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine?
4-(fluoromethyl)-3-methyl-2-nitro-5-(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 4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118845540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).