(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone

C15H9IN2O3 — CID 114935633

IUPAC(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1ccccc1I)c1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H9IN2O3/c16-12-6-2-1-4-10(12)15(19)11-8-17-14-9(11)5-3-7-13(14)18(20)21/h1-8,17H
InChIKeyMMFRVPMKMRGXFL-UHFFFAOYSA-N
MW392.15 g/mol
LogP3.91
Rot. Bonds3

About (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone

(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone (PubChem CID 114935633) has the molecular formula C15H9IN2O3 and a molecular weight of 392.15 g/mol. Its IUPAC name is (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
PubChem CID114935633
Molecular FormulaC15H9IN2O3
Molecular Weight392.15 g/mol
Exact Mass391.97
IUPAC Name(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1ccccc1I)c1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H9IN2O3/c16-12-6-2-1-4-10(12)15(19)11-8-17-14-9(11)5-3-7-13(14)18(20)21/h1-8,17H
InChIKeyMMFRVPMKMRGXFL-UHFFFAOYSA-N
XLogP3.91
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

7-nitro-1H-indole-3-carboxamide
CID 57287877
(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone
CID 106851417
methyl 7-nitro-1H-indole-3-carboxylate
CID 11413351
2,3-dimethyl-4-(7-nitro-1H-indol-3-yl)-4-oxobutanoic acid
CID 103500138
2-(1H-indole-3-carbonyl)-6-nitrobenzoic acid
CID 154150793
2-bromo-1-(7-nitro-1H-indol-3-yl)butan-1-one
CID 114935578
3-cyclopentyl-1-(7-nitro-1H-indol-3-yl)propan-1-one
CID 114935585
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
(7-nitro-1H-indol-3-yl) formate
CID 174450911

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone?
The IUPAC name of (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone (CID 114935633) is (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone is O=C(c1ccccc1I)c1c[nH]c2c([N+](=O)[O-])cccc12.
What is the InChIKey of (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone?
The InChIKey is MMFRVPMKMRGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IN2O3/c16-12-6-2-1-4-10(12)15(19)11-8-17-14-9(11)5-3-7-13(14)18(20)21/h1-8,17H.
What are the key properties of (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone?
(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone has a molecular weight of 392.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone is sourced from PubChem (CID 114935633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).