N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide

C12H10BrN3O3S — CID 31729518

IUPACN'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H10BrN3O3S/c1-19-10-5-2-7(6-14-10)11(17)15-16-12(18)8-3-4-9(13)20-8/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyRCXAARIIXZZQPX-UHFFFAOYSA-N
MW356.20 g/mol
LogP1.99
Rot. Bonds3

About N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide (PubChem CID 31729518) has the molecular formula C12H10BrN3O3S and a molecular weight of 356.20 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
PubChem CID31729518
Molecular FormulaC12H10BrN3O3S
Molecular Weight356.20 g/mol
Exact Mass354.96
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H10BrN3O3S/c1-19-10-5-2-7(6-14-10)11(17)15-16-12(18)8-3-4-9(13)20-8/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyRCXAARIIXZZQPX-UHFFFAOYSA-N
XLogP1.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
6-methoxy-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 27018409
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
N-[(5-bromothiophen-2-yl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 27839528
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
CID 26121927
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
5-bromo-N-[2-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821565

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide (CID 31729518) is N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cn1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
The InChIKey is RCXAARIIXZZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3S/c1-19-10-5-2-7(6-14-10)11(17)15-16-12(18)8-3-4-9(13)20-8/h2-6H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide has a molecular weight of 356.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide is sourced from PubChem (CID 31729518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).