3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile

C10H10N4O2S — CID 103764758

IUPAC3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCSC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2S/c11-5-7-1-3-12-10(9(7)14(15)16)13-8-2-4-17-6-8/h1,3,8H,2,4,6H2,(H,12,13)
InChIKeyFWHPSVMNQDDORP-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.78
Rot. Bonds3

About 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile

3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile (PubChem CID 103764758) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
PubChem CID103764758
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCSC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2S/c11-5-7-1-3-12-10(9(7)14(15)16)13-8-2-4-17-6-8/h1,3,8H,2,4,6H2,(H,12,13)
InChIKeyFWHPSVMNQDDORP-UHFFFAOYSA-N
XLogP1.78
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
CID 82813443
2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
CID 82812926
2-(1,4-dithian-2-ylmethylamino)-3-nitropyridine-4-carbonitrile
CID 115697143
2-(2,3-dihydro-1-benzofuran-3-ylamino)-3-nitropyridine-4-carbonitrile
CID 82794901
2-[(1-ethylpiperidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 80719136
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
2-[(2,4-dimethylcyclohexyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711391
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133411802
3-nitro-2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-4-carbonitrile
CID 133441647
5-nitro-6-N-propyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065276
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-nitropyridine-4-carbonitrile
CID 83025967

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile (CID 103764758) is 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NC2CCSC2)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile?
The InChIKey is FWHPSVMNQDDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-5-7-1-3-12-10(9(7)14(15)16)13-8-2-4-17-6-8/h1,3,8H,2,4,6H2,(H,12,13).
What are the key properties of 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile?
3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile has a molecular weight of 250.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 103764758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).