5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine

C7H4BrClF2N2O2 — CID 130074711

IUPAC5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(Cl)ncc(CBr)c1C(F)F
InChIInChI=1S/C7H4BrClF2N2O2/c8-1-3-2-12-6(9)5(13(14)15)4(3)7(10)11/h2,7H,1H2
InChIKeyRSFKMAXJGZVTCQ-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.48
Rot. Bonds3

About 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine

5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine (PubChem CID 130074711) has the molecular formula C7H4BrClF2N2O2 and a molecular weight of 301.47 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
PubChem CID130074711
Molecular FormulaC7H4BrClF2N2O2
Molecular Weight301.47 g/mol
Exact Mass299.91
IUPAC Name5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(Cl)ncc(CBr)c1C(F)F
InChIInChI=1S/C7H4BrClF2N2O2/c8-1-3-2-12-6(9)5(13(14)15)4(3)7(10)11/h2,7H,1H2
InChIKeyRSFKMAXJGZVTCQ-UHFFFAOYSA-N
XLogP3.48
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197
4-bromo-5-(bromomethyl)-2-chloro-3-(difluoromethyl)pyridine
CID 118850008
2-chloro-3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)pyridine
CID 119004595
5-(aminomethyl)-4-(difluoromethyl)-3-nitropyridin-2-amine
CID 119016926
[4-(difluoromethyl)-6-fluoro-5-nitro-3-pyridinyl]methanamine
CID 130081363
2,4-dichloro-5-ethyl-3-nitropyridine
CID 112757232
2-[6-amino-4-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 119022096
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
5-(chloromethyl)-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130081457

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine?
The IUPAC name of 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine (CID 130074711) is 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine.
What is the SMILES notation for 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine?
The canonical SMILES for 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine is O=[N+]([O-])c1c(Cl)ncc(CBr)c1C(F)F.
What is the InChIKey of 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine?
The InChIKey is RSFKMAXJGZVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2N2O2/c8-1-3-2-12-6(9)5(13(14)15)4(3)7(10)11/h2,7H,1H2.
What are the key properties of 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine?
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine has a molecular weight of 301.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine is sourced from PubChem (CID 130074711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).