3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C14H10N4O3S — CID 11404240

IUPAC3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c2cccnc2c1Sc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O3S/c15-14(19)12-13(11-10(17-12)5-2-6-16-11)22-9-4-1-3-8(7-9)18(20)21/h1-7,17H,(H2,15,19)
InChIKeyZGOWLIXZICGZAW-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.72
Rot. Bonds4

About 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 11404240) has the molecular formula C14H10N4O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID11404240
Molecular FormulaC14H10N4O3S
Molecular Weight314.33 g/mol
Exact Mass314.05
IUPAC Name3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c2cccnc2c1Sc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10N4O3S/c15-14(19)12-13(11-10(17-12)5-2-6-16-11)22-9-4-1-3-8(7-9)18(20)21/h1-7,17H,(H2,15,19)
InChIKeyZGOWLIXZICGZAW-UHFFFAOYSA-N
XLogP2.72
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-(2-aminophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 11818457
fluoro 3-(4-nitrophenyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 143239660
3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 150454014
2-(3-nitroanilino)pyridine-3-carboxamide
CID 901913
1-[4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]ethanol
CID 22130284
azane;ethene;(3-nitrophenyl)sulfanylmethanethioic S-acid
CID 174784405
diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 57068684
6,8-dinitroquinoline
CID 11106850
(3-nitrophenyl) carbamimidothioate
CID 102426730
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide
CID 11674216
8-[(3-nitrophenyl)methylsulfanyl]quinoline
CID 2326150

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 11404240) is 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is NC(=O)c1[nH]c2cccnc2c1Sc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZGOWLIXZICGZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3S/c15-14(19)12-13(11-10(17-12)5-2-6-16-11)22-9-4-1-3-8(7-9)18(20)21/h1-7,17H,(H2,15,19).
What are the key properties of 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 11404240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).