2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide

C12H10F2N4O2S — CID 78813989

IUPAC2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1SC(F)F)c1ccc[nH]1
InChIInChI=1S/C12H10F2N4O2S/c13-12(14)21-11-7(3-1-6-16-11)9(19)17-18-10(20)8-4-2-5-15-8/h1-6,12,15H,(H,17,19)(H,18,20)
InChIKeyZVYYWEZOWOZKKW-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.80
Rot. Bonds4

About 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide

2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 78813989) has the molecular formula C12H10F2N4O2S and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID78813989
Molecular FormulaC12H10F2N4O2S
Molecular Weight312.30 g/mol
Exact Mass312.05
IUPAC Name2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1SC(F)F)c1ccc[nH]1
InChIInChI=1S/C12H10F2N4O2S/c13-12(14)21-11-7(3-1-6-16-11)9(19)17-18-10(20)8-4-2-5-15-8/h1-6,12,15H,(H,17,19)(H,18,20)
InChIKeyZVYYWEZOWOZKKW-UHFFFAOYSA-N
XLogP1.80
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide
CID 24553921
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
CID 24552609
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
CID 78810821
2-(difluoromethylsulfanyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86929035
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
CID 24538204
2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide
CID 24547275
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78868278
2-(difluoromethylsulfanyl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 78806718
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide (CID 78813989) is 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1SC(F)F)c1ccc[nH]1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is ZVYYWEZOWOZKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2S/c13-12(14)21-11-7(3-1-6-16-11)9(19)17-18-10(20)8-4-2-5-15-8/h1-6,12,15H,(H,17,19)(H,18,20).
What are the key properties of 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 312.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 78813989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).