4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine

C14H13BrN2O2S — CID 13210722

IUPAC4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCN1Cc2sc([N+](=O)[O-])cc2C(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H13BrN2O2S/c1-16-7-12(9-2-4-10(15)5-3-9)11-6-14(17(18)19)20-13(11)8-16/h2-6,12H,7-8H2,1H3
InChIKeyFRBBJNSSTGRZOS-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.00
Rot. Bonds2

About 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine

4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 13210722) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID13210722
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCN1Cc2sc([N+](=O)[O-])cc2C(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H13BrN2O2S/c1-16-7-12(9-2-4-10(15)5-3-9)11-6-14(17(18)19)20-13(11)8-16/h2-6,12H,7-8H2,1H3
InChIKeyFRBBJNSSTGRZOS-UHFFFAOYSA-N
XLogP4.00
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 13210722) is 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine is CN1Cc2sc([N+](=O)[O-])cc2C(c2ccc(Br)cc2)C1.
What is the InChIKey of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is FRBBJNSSTGRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-16-7-12(9-2-4-10(15)5-3-9)11-6-14(17(18)19)20-13(11)8-16/h2-6,12H,7-8H2,1H3.
What are the key properties of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine?
4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 353.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 13210722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).