6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide

C11H8N4O2S — CID 3037634

IUPAC6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2cc([N+](=O)[O-])ccn2)n1
InChIInChI=1S/C11H8N4O2S/c12-11(18)9-3-1-2-8(14-9)10-6-7(15(16)17)4-5-13-10/h1-6H,(H2,12,18)
InChIKeyQTIGRIFVWCLLSP-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.69
Rot. Bonds3

About 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide

6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide (PubChem CID 3037634) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide
PubChem CID3037634
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(-c2cc([N+](=O)[O-])ccn2)n1
InChIInChI=1S/C11H8N4O2S/c12-11(18)9-3-1-2-8(14-9)10-6-7(15(16)17)4-5-13-10/h1-6H,(H2,12,18)
InChIKeyQTIGRIFVWCLLSP-UHFFFAOYSA-N
XLogP1.69
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
CID 20842770
5-nitropyridine-2-carbothioamide
CID 82668935
(4-nitro-2-pyridinyl)methanamine;dihydrochloride
CID 131844591
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
(Z)-2-amino-1-(2-methylsulfanylpyrimidin-4-yl)-2-(3-nitrophenyl)ethenol
CID 143818260
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
O-(3-nitrophenyl) carbamothioate
CID 56992342
benzamide;3-nitrobenzoic acid
CID 139144379

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide?
The IUPAC name of 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide (CID 3037634) is 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide?
The canonical SMILES for 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide is NC(=S)c1cccc(-c2cc([N+](=O)[O-])ccn2)n1.
What is the InChIKey of 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide?
The InChIKey is QTIGRIFVWCLLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c12-11(18)9-3-1-2-8(14-9)10-6-7(15(16)17)4-5-13-10/h1-6H,(H2,12,18).
What are the key properties of 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide?
6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide has a molecular weight of 260.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitro-2-pyridinyl)pyridine-2-carbothioamide is sourced from PubChem (CID 3037634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).