(7-nitro-1H-indol-3-yl) formate

C9H6N2O4 — CID 174450911

IUPAC(7-nitro-1H-indol-3-yl) formate
SMILESO=COc1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C9H6N2O4/c12-5-15-8-4-10-9-6(8)2-1-3-7(9)11(13)14/h1-5,10H
InChIKeyYWNZUQQQXNVPMQ-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.61
Rot. Bonds3

About (7-nitro-1H-indol-3-yl) formate

(7-nitro-1H-indol-3-yl) formate (PubChem CID 174450911) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is (7-nitro-1H-indol-3-yl) formate.

Molecular Properties

Compound Name(7-nitro-1H-indol-3-yl) formate
PubChem CID174450911
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name(7-nitro-1H-indol-3-yl) formate
SMILESO=COc1c[nH]c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C9H6N2O4/c12-5-15-8-4-10-9-6(8)2-1-3-7(9)11(13)14/h1-5,10H
InChIKeyYWNZUQQQXNVPMQ-UHFFFAOYSA-N
XLogP1.61
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-indol-3-yl)methanamine
CID 76844656
7-nitro-1H-indole-3-carboxamide
CID 57287877
methyl 7-nitro-1H-indole-3-carboxylate
CID 11413351
1,5,9-trinitrotriphenylene
CID 86227277
(1S)-1-(7-nitro-1H-indol-3-yl)propan-1-amine
CID 104985014
2-(3-nitro-1H-indol-7-yl)acetaldehyde
CID 83881757
(2-iodophenyl)-(7-nitro-1H-indol-3-yl)methanone
CID 114935633
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
1H-pyrrolo[2,3-b]pyridin-3-yl formate
CID 57163255
2,3-dimethyl-4-(7-nitro-1H-indol-3-yl)-4-oxobutanoic acid
CID 103500138
3-[1-(4-methoxyphenyl)propyl]-7-nitro-1H-indole
CID 102391474
2-bromo-1-(7-nitro-1H-indol-3-yl)butan-1-one
CID 114935578

Frequently Asked Questions

What is the IUPAC name of (7-nitro-1H-indol-3-yl) formate?
The IUPAC name of (7-nitro-1H-indol-3-yl) formate (CID 174450911) is (7-nitro-1H-indol-3-yl) formate.
What is the SMILES notation for (7-nitro-1H-indol-3-yl) formate?
The canonical SMILES for (7-nitro-1H-indol-3-yl) formate is O=COc1c[nH]c2c([N+](=O)[O-])cccc12.
What is the InChIKey of (7-nitro-1H-indol-3-yl) formate?
The InChIKey is YWNZUQQQXNVPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-5-15-8-4-10-9-6(8)2-1-3-7(9)11(13)14/h1-5,10H.
What are the key properties of (7-nitro-1H-indol-3-yl) formate?
(7-nitro-1H-indol-3-yl) formate has a molecular weight of 206.16 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-1H-indol-3-yl) formate is sourced from PubChem (CID 174450911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).