3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine

C7H5BrF2N2O2 — CID 130069118

IUPAC3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
SMILESCc1ncc([N+](=O)[O-])c(C(F)F)c1Br
InChIInChI=1S/C7H5BrF2N2O2/c1-3-6(8)5(7(9)10)4(2-11-3)12(13)14/h2,7H,1H3
InChIKeyQMNPFLZZZLCALZ-UHFFFAOYSA-N
MW267.03 g/mol
LogP3.00
Rot. Bonds2

About 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine

3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine (PubChem CID 130069118) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
PubChem CID130069118
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
SMILESCc1ncc([N+](=O)[O-])c(C(F)F)c1Br
InChIInChI=1S/C7H5BrF2N2O2/c1-3-6(8)5(7(9)10)4(2-11-3)12(13)14/h2,7H,1H3
InChIKeyQMNPFLZZZLCALZ-UHFFFAOYSA-N
XLogP3.00
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528
4-(difluoromethyl)-2-fluoro-3-iodo-5-nitropyridine
CID 118845695
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
CID 130088275
3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine?
The IUPAC name of 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine (CID 130069118) is 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine is Cc1ncc([N+](=O)[O-])c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine?
The InChIKey is QMNPFLZZZLCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c1-3-6(8)5(7(9)10)4(2-11-3)12(13)14/h2,7H,1H3.
What are the key properties of 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine?
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine has a molecular weight of 267.03 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine is sourced from PubChem (CID 130069118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).