3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine

C7H5BrF2N2O2 — CID 130097890

IUPAC3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(CBr)c1
InChIInChI=1S/C7H5BrF2N2O2/c8-2-4-1-5(12(13)14)3-11-6(4)7(9)10/h1,3,7H,2H2
InChIKeyFXGGFAAVFVWSNG-UHFFFAOYSA-N
MW267.03 g/mol
LogP2.82
Rot. Bonds3

About 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine

3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine (PubChem CID 130097890) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
PubChem CID130097890
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(CBr)c1
InChIInChI=1S/C7H5BrF2N2O2/c8-2-4-1-5(12(13)14)3-11-6(4)7(9)10/h1,3,7H,2H2
InChIKeyFXGGFAAVFVWSNG-UHFFFAOYSA-N
XLogP2.82
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130097039
3-(bromomethyl)-2-(difluoromethyl)-4-iodo-5-nitropyridine
CID 130086553
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
2-bromo-3-(chloromethyl)-5-nitropyridine
CID 131012860
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
3-(3-bromo-5-nitro-2-pyridinyl)butan-2-one
CID 79524584
4-(bromomethyl)-3-(difluoromethyl)-6-methyl-2-nitropyridine
CID 118824237
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711
1,2-bis(bromomethyl)-4-nitrobenzene;ethane
CID 143301979
2-chloro-3-ethyl-5-nitropyridine
CID 86657225

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine (CID 130097890) is 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine is O=[N+]([O-])c1cnc(C(F)F)c(CBr)c1.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine?
The InChIKey is FXGGFAAVFVWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-2-4-1-5(12(13)14)3-11-6(4)7(9)10/h1,3,7H,2H2.
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine?
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine has a molecular weight of 267.03 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine is sourced from PubChem (CID 130097890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).