7-nitro-1H-indole-3-carboxamide

C9H7N3O3 — CID 57287877

IUPAC7-nitro-1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C9H7N3O3/c10-9(13)6-4-11-8-5(6)2-1-3-7(8)12(14)15/h1-4,11H,(H2,10,13)
InChIKeyIYEKINQRUVHQPS-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.17
Rot. Bonds2

About 7-nitro-1H-indole-3-carboxamide

7-nitro-1H-indole-3-carboxamide (PubChem CID 57287877) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 7-nitro-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-nitro-1H-indole-3-carboxamide
PubChem CID57287877
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name7-nitro-1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C9H7N3O3/c10-9(13)6-4-11-8-5(6)2-1-3-7(8)12(14)15/h1-4,11H,(H2,10,13)
InChIKeyIYEKINQRUVHQPS-UHFFFAOYSA-N
XLogP1.17
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 7-nitro-1H-indole-3-carboxylate
CID 11413351
(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
CID 114935633
2,3-dimethyl-4-(7-nitro-1H-indol-3-yl)-4-oxobutanoic acid
CID 103500138
2-bromo-1-(7-nitro-1H-indol-3-yl)butan-1-one
CID 114935578
(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone
CID 106851417
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
3-cyclopentyl-1-(7-nitro-1H-indol-3-yl)propan-1-one
CID 114935585
(1S)-1-(7-nitro-1H-indol-3-yl)propan-1-amine
CID 104985014
(7-nitro-1H-indol-3-yl) formate
CID 174450911
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
2-(3-nitro-1H-indol-7-yl)acetic acid
CID 83889215

Frequently Asked Questions

What is the IUPAC name of 7-nitro-1H-indole-3-carboxamide?
The IUPAC name of 7-nitro-1H-indole-3-carboxamide (CID 57287877) is 7-nitro-1H-indole-3-carboxamide.
What is the SMILES notation for 7-nitro-1H-indole-3-carboxamide?
The canonical SMILES for 7-nitro-1H-indole-3-carboxamide is NC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12.
What is the InChIKey of 7-nitro-1H-indole-3-carboxamide?
The InChIKey is IYEKINQRUVHQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-9(13)6-4-11-8-5(6)2-1-3-7(8)12(14)15/h1-4,11H,(H2,10,13).
What are the key properties of 7-nitro-1H-indole-3-carboxamide?
7-nitro-1H-indole-3-carboxamide has a molecular weight of 205.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1H-indole-3-carboxamide is sourced from PubChem (CID 57287877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).