6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine

C8H6ClF3N2O4 — CID 134670317

IUPAC6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
SMILESCOc1cc(CCl)nc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6ClF3N2O4/c1-17-5-2-4(3-9)13-7(6(5)14(15)16)18-8(10,11)12/h2H,3H2,1H3
InChIKeyOZFLBNJELGLCNR-UHFFFAOYSA-N
MW286.59 g/mol
LogP2.64
Rot. Bonds4

About 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine

6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine (PubChem CID 134670317) has the molecular formula C8H6ClF3N2O4 and a molecular weight of 286.59 g/mol. Its IUPAC name is 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
PubChem CID134670317
Molecular FormulaC8H6ClF3N2O4
Molecular Weight286.59 g/mol
Exact Mass286.00
IUPAC Name6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
SMILESCOc1cc(CCl)nc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6ClF3N2O4/c1-17-5-2-4(3-9)13-7(6(5)14(15)16)18-8(10,11)12/h2H,3H2,1H3
InChIKeyOZFLBNJELGLCNR-UHFFFAOYSA-N
XLogP2.64
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118804931
5-chloro-1-(chloromethyl)-3-methoxy-2-nitrobenzene
CID 171002216
methyl 2-[4-methoxy-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668272
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine (CID 134670317) is 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine is COc1cc(CCl)nc(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine?
The InChIKey is OZFLBNJELGLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O4/c1-17-5-2-4(3-9)13-7(6(5)14(15)16)18-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine?
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine has a molecular weight of 286.59 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134670317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).