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

C12H10BrN3O2S — CID 32770697

IUPACN'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H10BrN3O2S/c1-7-2-3-8(6-14-7)11(17)15-16-12(18)9-4-5-10(13)19-9/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyJNPNHTJSAZULHF-UHFFFAOYSA-N
MW340.20 g/mol
LogP2.29
Rot. Bonds2

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

N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide (PubChem CID 32770697) has the molecular formula C12H10BrN3O2S and a molecular weight of 340.20 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
PubChem CID32770697
Molecular FormulaC12H10BrN3O2S
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H10BrN3O2S/c1-7-2-3-8(6-14-7)11(17)15-16-12(18)9-4-5-10(13)19-9/h2-6H,1H3,(H,15,17)(H,16,18)
InChIKeyJNPNHTJSAZULHF-UHFFFAOYSA-N
XLogP2.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide (CID 32770697) is N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cn1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide?
The InChIKey is JNPNHTJSAZULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S/c1-7-2-3-8(6-14-7)11(17)15-16-12(18)9-4-5-10(13)19-9/h2-6H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide has a molecular weight of 340.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide is sourced from PubChem (CID 32770697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).