5-bromo-2-cyclopropyl-4-nitropyridine

C8H7BrN2O2 — CID 172993463

IUPAC5-bromo-2-cyclopropyl-4-nitropyridine
SMILESO=[N+]([O-])c1cc(C2CC2)ncc1Br
InChIInChI=1S/C8H7BrN2O2/c9-6-4-10-7(5-1-2-5)3-8(6)11(12)13/h3-5H,1-2H2
InChIKeyMTUHNSOHPRXRNT-UHFFFAOYSA-N
MW243.06 g/mol
LogP2.63
Rot. Bonds2

About 5-bromo-2-cyclopropyl-4-nitropyridine

5-bromo-2-cyclopropyl-4-nitropyridine (PubChem CID 172993463) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-nitropyridine
PubChem CID172993463
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name5-bromo-2-cyclopropyl-4-nitropyridine
SMILESO=[N+]([O-])c1cc(C2CC2)ncc1Br
InChIInChI=1S/C8H7BrN2O2/c9-6-4-10-7(5-1-2-5)3-8(6)11(12)13/h3-5H,1-2H2
InChIKeyMTUHNSOHPRXRNT-UHFFFAOYSA-N
XLogP2.63
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.63
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

5-bromo-2-cyclopropylpyridin-4-amine
CID 84618253
1-bromo-2,4,5-trinitrobenzene
CID 13333986
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
1-(4-bromo-2-nitrophenyl)-3-cyclopropylpyrazole
CID 62491933
2-cyclopentyl-5-nitropyridine
CID 58049556
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445
3-bromo-4-nitrobicyclo[4.2.0]octa-1,3,5-triene
CID 130836892
CID 164551635
CID 164551635
4-bromo-N-cyclohexyl-3-nitroaniline
CID 79767525
7-cyclopropyl-2-methoxy-6-nitroquinazoline
CID 151315865
1-(4-bromo-3-nitrophenyl)-5-cyclopropyltriazol-4-amine
CID 79768021
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-4-nitropyridine?
The IUPAC name of 5-bromo-2-cyclopropyl-4-nitropyridine (CID 172993463) is 5-bromo-2-cyclopropyl-4-nitropyridine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-nitropyridine?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-nitropyridine is O=[N+]([O-])c1cc(C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-nitropyridine?
The InChIKey is MTUHNSOHPRXRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-6-4-10-7(5-1-2-5)3-8(6)11(12)13/h3-5H,1-2H2.
What are the key properties of 5-bromo-2-cyclopropyl-4-nitropyridine?
5-bromo-2-cyclopropyl-4-nitropyridine has a molecular weight of 243.06 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-nitropyridine is sourced from PubChem (CID 172993463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).