(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine

C20H15N3O3 — CID 174938031

IUPAC(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1cnc2cc[nH]c2c1
InChIInChI=1S/C13H9NO3.C7H6N2/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-6-7(8-4-1)3-5-9-6/h1-9H;1-5,9H
InChIKeyRNVFQJRDXIWDPT-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.39
Rot. Bonds3

About (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine

(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine (PubChem CID 174938031) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine
PubChem CID174938031
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine
SMILESO=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1cnc2cc[nH]c2c1
InChIInChI=1S/C13H9NO3.C7H6N2/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-6-7(8-4-1)3-5-9-6/h1-9H;1-5,9H
InChIKeyRNVFQJRDXIWDPT-UHFFFAOYSA-N
XLogP4.39
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.39
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-nitrophenyl)-phenylmethanone;1H-pyrazole
CID 161134312
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CID 174984132
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
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CID 174848251
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
(2-nitrophenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 174458714
CID 87410618
CID 87410618
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine (CID 174938031) is (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine is O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].c1cnc2cc[nH]c2c1.
What is the InChIKey of (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RNVFQJRDXIWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3.C7H6N2/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;1-2-6-7(8-4-1)3-5-9-6/h1-9H;1-5,9H.
What are the key properties of (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine?
(2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine has a molecular weight of 345.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-phenylmethanone;1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 174938031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).