6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine

C7H3BrF4N2O3 — CID 134658939

IUPAC6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1c(OC(F)(F)F)cc(CBr)nc1F
InChIInChI=1S/C7H3BrF4N2O3/c8-2-3-1-4(17-7(10,11)12)5(14(15)16)6(9)13-3/h1H,2H2
InChIKeyCCZOTFJNTPAYFE-UHFFFAOYSA-N
MW319.01 g/mol
LogP2.92
Rot. Bonds3

About 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine

6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine (PubChem CID 134658939) has the molecular formula C7H3BrF4N2O3 and a molecular weight of 319.01 g/mol. Its IUPAC name is 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
PubChem CID134658939
Molecular FormulaC7H3BrF4N2O3
Molecular Weight319.01 g/mol
Exact Mass317.93
IUPAC Name6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1c(OC(F)(F)F)cc(CBr)nc1F
InChIInChI=1S/C7H3BrF4N2O3/c8-2-3-1-4(17-7(10,11)12)5(14(15)16)6(9)13-3/h1H,2H2
InChIKeyCCZOTFJNTPAYFE-UHFFFAOYSA-N
XLogP2.92
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.01
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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

6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680938
6-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130110872
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
CID 134660726
2-(bromomethyl)-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134678331
2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
CID 134664818
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
CID 118852875
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
2-[6-iodo-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660035

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine (CID 134658939) is 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine is O=[N+]([O-])c1c(OC(F)(F)F)cc(CBr)nc1F.
What is the InChIKey of 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine?
The InChIKey is CCZOTFJNTPAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4N2O3/c8-2-3-1-4(17-7(10,11)12)5(14(15)16)6(9)13-3/h1H,2H2.
What are the key properties of 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine?
6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine has a molecular weight of 319.01 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-fluoro-3-nitro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134658939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).