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

C7H5BrF2N2O2 — CID 119021197

IUPAC2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
SMILESCc1cnc(Br)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H5BrF2N2O2/c1-3-2-11-6(8)4(7(9)10)5(3)12(13)14/h2,7H,1H3
InChIKeyQXTRBRLFXAXLFX-UHFFFAOYSA-N
MW267.03 g/mol
LogP3.00
Rot. Bonds2

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

2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine (PubChem CID 119021197) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
PubChem CID119021197
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
SMILESCc1cnc(Br)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H5BrF2N2O2/c1-3-2-11-6(8)4(7(9)10)5(3)12(13)14/h2,7H,1H3
InChIKeyQXTRBRLFXAXLFX-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': '2-halo_pyridine', '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

2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
methyl 3-(difluoromethyl)-5-methyl-4-nitropyridine-2-carboxylate
CID 133099156
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine (CID 119021197) is 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine is Cc1cnc(Br)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine?
The InChIKey is QXTRBRLFXAXLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c1-3-2-11-6(8)4(7(9)10)5(3)12(13)14/h2,7H,1H3.
What are the key properties of 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine?
2-bromo-3-(difluoromethyl)-5-methyl-4-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 2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine is sourced from PubChem (CID 119021197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).