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

C13H7BrN2O4 — CID 106851417

IUPAC(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1ccoc1Br)c1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H7BrN2O4/c14-13-8(4-5-20-13)12(17)9-6-15-11-7(9)2-1-3-10(11)16(18)19/h1-6,15H
InChIKeyLZYLIYGLJBKJGP-UHFFFAOYSA-N
MW335.11 g/mol
LogP3.66
Rot. Bonds3

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

(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone (PubChem CID 106851417) has the molecular formula C13H7BrN2O4 and a molecular weight of 335.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone
PubChem CID106851417
Molecular FormulaC13H7BrN2O4
Molecular Weight335.11 g/mol
Exact Mass333.96
IUPAC Name(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1ccoc1Br)c1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H7BrN2O4/c14-13-8(4-5-20-13)12(17)9-6-15-11-7(9)2-1-3-10(11)16(18)19/h1-6,15H
InChIKeyLZYLIYGLJBKJGP-UHFFFAOYSA-N
XLogP3.66
TPSA89.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
CID 114935633
7-nitro-1H-indole-3-carboxamide
CID 57287877
methyl 7-nitro-1H-indole-3-carboxylate
CID 11413351
2-bromo-1-(7-nitro-1H-indol-3-yl)butan-1-one
CID 114935578
2,3-dimethyl-4-(7-nitro-1H-indol-3-yl)-4-oxobutanoic acid
CID 103500138
3-cyclopentyl-1-(7-nitro-1H-indol-3-yl)propan-1-one
CID 114935585
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
2-(1H-indole-3-carbonyl)-6-nitrobenzoic acid
CID 154150793
(7-nitro-1H-indol-3-yl)methanamine
CID 76844656
(7-nitro-1H-indol-3-yl) formate
CID 174450911
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone (CID 106851417) is (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone is O=C(c1ccoc1Br)c1c[nH]c2c([N+](=O)[O-])cccc12.
What is the InChIKey of (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone?
The InChIKey is LZYLIYGLJBKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN2O4/c14-13-8(4-5-20-13)12(17)9-6-15-11-7(9)2-1-3-10(11)16(18)19/h1-6,15H.
What are the key properties of (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone?
(2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone has a molecular weight of 335.11 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(7-nitro-1H-indol-3-yl)methanone is sourced from PubChem (CID 106851417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).