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

C7H5BrF2N2O2 — CID 130069120

IUPAC3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
SMILESCc1cnc([N+](=O)[O-])c(Br)c1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c1-3-2-11-7(12(13)14)5(8)4(3)6(9)10/h2,6H,1H3
InChIKeyMSKQZKQXPLUCQG-UHFFFAOYSA-N
MW267.03 g/mol
LogP3.00
Rot. Bonds2

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

3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine (PubChem CID 130069120) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
PubChem CID130069120
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
SMILESCc1cnc([N+](=O)[O-])c(Br)c1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c1-3-2-11-7(12(13)14)5(8)4(3)6(9)10/h2,6H,1H3
InChIKeyMSKQZKQXPLUCQG-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

4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
2-[5-bromo-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 130069833
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine?
The IUPAC name of 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine (CID 130069120) is 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine is Cc1cnc([N+](=O)[O-])c(Br)c1C(F)F.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine?
The InChIKey is MSKQZKQXPLUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c1-3-2-11-7(12(13)14)5(8)4(3)6(9)10/h2,6H,1H3.
What are the key properties of 3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine?
3-bromo-4-(difluoromethyl)-5-methyl-2-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)-5-methyl-2-nitropyridine is sourced from PubChem (CID 130069120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).