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

C14H14BrClN2O2S — CID 54586590

IUPAC4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCN1Cc2sc([N+](=O)[O-])cc2C(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C14H13BrN2O2S.ClH/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;1H
InChIKeyVKNYYAMHMNIJPR-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.42
Rot. Bonds2

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

4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 54586590) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID54586590
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCN1Cc2sc([N+](=O)[O-])cc2C(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C14H13BrN2O2S.ClH/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;1H
InChIKeyVKNYYAMHMNIJPR-UHFFFAOYSA-N
XLogP4.42
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.42
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;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 54586590) is 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is CN1Cc2sc([N+](=O)[O-])cc2C(c2ccc(Br)cc2)C1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is VKNYYAMHMNIJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S.ClH/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;1H.
What are the key properties of 4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
4-(4-bromophenyl)-6-methyl-2-nitro-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 389.70 g/mol, XLogP of 4.42, 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;hydrochloride is sourced from PubChem (CID 54586590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).