4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide

C9H8BrN3O2S — CID 155760416

IUPAC4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide
SMILESCn1cc(Br)c2cc(C(=O)NN)sc2c1=O
InChIInChI=1S/C9H8BrN3O2S/c1-13-3-5(10)4-2-6(8(14)12-11)16-7(4)9(13)15/h2-3H,11H2,1H3,(H,12,14)
InChIKeyLYYBZWHTEGDWKD-UHFFFAOYSA-N
MW302.15 g/mol
LogP0.97
Rot. Bonds1

About 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide

4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide (PubChem CID 155760416) has the molecular formula C9H8BrN3O2S and a molecular weight of 302.15 g/mol. Its IUPAC name is 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide
PubChem CID155760416
Molecular FormulaC9H8BrN3O2S
Molecular Weight302.15 g/mol
Exact Mass300.95
IUPAC Name4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide
SMILESCn1cc(Br)c2cc(C(=O)NN)sc2c1=O
InChIInChI=1S/C9H8BrN3O2S/c1-13-3-5(10)4-2-6(8(14)12-11)16-7(4)9(13)15/h2-3H,11H2,1H3,(H,12,14)
InChIKeyLYYBZWHTEGDWKD-UHFFFAOYSA-N
XLogP0.97
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate
CID 154671471
7-bromo-2,5-dimethylthieno[3,2-c]pyridin-4-one
CID 144628500
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
CID 119344889
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
CID 119821015
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
CID 71921848
4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 90351143
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
4,5-dimethoxy-1-benzothiophene-2-carbohydrazide
CID 102534229
ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
CID 139371054
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide?
The IUPAC name of 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide (CID 155760416) is 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide.
What is the SMILES notation for 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide?
The canonical SMILES for 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide is Cn1cc(Br)c2cc(C(=O)NN)sc2c1=O.
What is the InChIKey of 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide?
The InChIKey is LYYBZWHTEGDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S/c1-13-3-5(10)4-2-6(8(14)12-11)16-7(4)9(13)15/h2-3H,11H2,1H3,(H,12,14).
What are the key properties of 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide?
4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide has a molecular weight of 302.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-7-oxothieno[2,3-c]pyridine-2-carbohydrazide is sourced from PubChem (CID 155760416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).