5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine

C15H13BrN2O3 — CID 61375305

IUPAC5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OC1CCCc2ccccc21
InChIInChI=1S/C15H13BrN2O3/c16-11-8-13(18(19)20)15(17-9-11)21-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9,14H,3,5,7H2
InChIKeyYOODXUQIKMQEFC-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.21
Rot. Bonds3

About 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine

5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine (PubChem CID 61375305) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
PubChem CID61375305
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1OC1CCCc2ccccc21
InChIInChI=1S/C15H13BrN2O3/c16-11-8-13(18(19)20)15(17-9-11)21-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9,14H,3,5,7H2
InChIKeyYOODXUQIKMQEFC-UHFFFAOYSA-N
XLogP4.21
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.21
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

5-bromo-2-(1-methylpiperidin-4-yl)oxy-3-nitropyridine
CID 61374363
5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 79727300
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681
2-(5-bromo-3-nitro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 63158099
5-bromo-3-nitro-2-pyridin-3-yloxypyridine
CID 61374906
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 62683859
1,2,3,4-tetrahydronaphthalen-1-yl 6-bromopyridine-3-carboxylate
CID 66462388
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932
5-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
CID 103518708
6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 116797621
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The IUPAC name of 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine (CID 61375305) is 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The canonical SMILES for 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine is O=[N+]([O-])c1cc(Br)cnc1OC1CCCc2ccccc21.
What is the InChIKey of 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
The InChIKey is YOODXUQIKMQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-11-8-13(18(19)20)15(17-9-11)21-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9,14H,3,5,7H2.
What are the key properties of 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine?
5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine has a molecular weight of 349.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine is sourced from PubChem (CID 61375305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).