5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine

C10H9BrN2O3 — CID 59631376

IUPAC5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1C1=CCOCC1
InChIInChI=1S/C10H9BrN2O3/c11-8-5-9(13(14)15)10(12-6-8)7-1-3-16-4-2-7/h1,5-6H,2-4H2
InChIKeyJBDFCGMOQZSZNX-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.56
Rot. Bonds2

About 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine

5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine (PubChem CID 59631376) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine
PubChem CID59631376
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1C1=CCOCC1
InChIInChI=1S/C10H9BrN2O3/c11-8-5-9(13(14)15)10(12-6-8)7-1-3-16-4-2-7/h1,5-6H,2-4H2
InChIKeyJBDFCGMOQZSZNX-UHFFFAOYSA-N
XLogP2.56
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine
CID 130160924
5-bromo-2-(4-chloro-3,5-difluorophenyl)-3-nitropyridine
CID 118196265
5-bromo-3-nitro-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 169093551
5-bromo-N-(3-methyloxetan-3-yl)-3-nitropyridin-2-amine
CID 170993871
5-bromo-3-nitropyridine-2-carbonitrile
CID 2769698
3-[(5-bromo-3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 64888507
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CID 61375480
methyl 3-(5-bromo-3-nitro-2-pyridinyl)-1-(trideuteriomethyl)pyrazole-5-carboxylate
CID 164588673
3-(5-bromo-3-nitro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369355
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
1-[4-(5-bromo-3-nitro-2-pyridinyl)-2-methylphenyl]-N-methylmethanimine
CID 166654613
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CID 61373982

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine (CID 59631376) is 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine is O=[N+]([O-])c1cc(Br)cnc1C1=CCOCC1.
What is the InChIKey of 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine?
The InChIKey is JBDFCGMOQZSZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c11-8-5-9(13(14)15)10(12-6-8)7-1-3-16-4-2-7/h1,5-6H,2-4H2.
What are the key properties of 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine?
5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine has a molecular weight of 285.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,6-dihydro-2H-pyran-4-yl)-3-nitropyridine is sourced from PubChem (CID 59631376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).