6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine

C11H13N5O2S — CID 114071530

IUPAC6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESNNc1cc([N+](=O)[O-])cc(NCCc2cccs2)n1
InChIInChI=1S/C11H13N5O2S/c12-15-11-7-8(16(17)18)6-10(14-11)13-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,12H2,(H2,13,14,15)
InChIKeyZXDBSYUKSQANKI-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.99
Rot. Bonds6

About 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine

6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 114071530) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID114071530
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESNNc1cc([N+](=O)[O-])cc(NCCc2cccs2)n1
InChIInChI=1S/C11H13N5O2S/c12-15-11-7-8(16(17)18)6-10(14-11)13-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,12H2,(H2,13,14,15)
InChIKeyZXDBSYUKSQANKI-UHFFFAOYSA-N
XLogP1.99
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 60877639
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 71944701
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692
N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 114071438
2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 67690075
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 62144010
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
N-[(3-methoxy-5-nitrophenyl)methyl]-2-thiophen-2-ylethanamine
CID 81150404
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 106379059

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine (CID 114071530) is 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine is NNc1cc([N+](=O)[O-])cc(NCCc2cccs2)n1.
What is the InChIKey of 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is ZXDBSYUKSQANKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-15-11-7-8(16(17)18)6-10(14-11)13-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4,12H2,(H2,13,14,15).
What are the key properties of 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 279.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 114071530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).