2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine

C8H6ClF3N2O3 — CID 118804281

IUPAC2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c([N+](=O)[O-])nc1CCl
InChIInChI=1S/C8H6ClF3N2O3/c1-4-2-6(17-8(10,11)12)7(14(15)16)13-5(4)3-9/h2H,3H2,1H3
InChIKeyBZLPIGDNLGRJBK-UHFFFAOYSA-N
MW270.59 g/mol
LogP2.94
Rot. Bonds3

About 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine

2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine (PubChem CID 118804281) has the molecular formula C8H6ClF3N2O3 and a molecular weight of 270.59 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
PubChem CID118804281
Molecular FormulaC8H6ClF3N2O3
Molecular Weight270.59 g/mol
Exact Mass270.00
IUPAC Name2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)c([N+](=O)[O-])nc1CCl
InChIInChI=1S/C8H6ClF3N2O3/c1-4-2-6(17-8(10,11)12)7(14(15)16)13-5(4)3-9/h2H,3H2,1H3
InChIKeyBZLPIGDNLGRJBK-UHFFFAOYSA-N
XLogP2.94
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
ethyl 2-iodo-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666793
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
2-[5-fluoro-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134664833
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine (CID 118804281) is 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)c([N+](=O)[O-])nc1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine?
The InChIKey is BZLPIGDNLGRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O3/c1-4-2-6(17-8(10,11)12)7(14(15)16)13-5(4)3-9/h2H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine?
2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine has a molecular weight of 270.59 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118804281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).