7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one

C13H7ClN2O4 — CID 70069519

IUPAC7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one
SMILESO=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc21
InChIInChI=1S/C13H7ClN2O4/c14-9-4-3-7(6-10(9)16(18)19)12-11-8(13(17)20-12)2-1-5-15-11/h1-6,12H
InChIKeyRXSFXZCZWBGSKP-UHFFFAOYSA-N
MW290.66 g/mol
LogP2.90
Rot. Bonds2

About 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one

7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one (PubChem CID 70069519) has the molecular formula C13H7ClN2O4 and a molecular weight of 290.66 g/mol. Its IUPAC name is 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one
PubChem CID70069519
Molecular FormulaC13H7ClN2O4
Molecular Weight290.66 g/mol
Exact Mass290.01
IUPAC Name7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one
SMILESO=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc21
InChIInChI=1S/C13H7ClN2O4/c14-9-4-3-7(6-10(9)16(18)19)12-11-8(13(17)20-12)2-1-5-15-11/h1-6,12H
InChIKeyRXSFXZCZWBGSKP-UHFFFAOYSA-N
XLogP2.90
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.66
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-[2-(4-chloro-3-nitrophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 167407850
3-(4-hydroxy-3-nitrophenyl)-3H-2-benzofuran-1-one
CID 69256611
(7R)-7-(4-chloro-3-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92714064
2-(4-chloro-3-nitrophenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613871
7-hydroxy-7H-furo[3,4-b]pyridin-5-one
CID 14796871
(2R)-2-(4-chloro-3-nitrophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9011842
(2S)-2-(4-chloro-3-nitrophenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012094
5-(4-chloro-3-nitrophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 175694917
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
CID 3113449
2-(4-chloro-3-nitrophenyl)cyclopropane-1-carboxylic acid
CID 82228548
2-(4-chloro-3-nitrophenyl)-3-cyclohexyl-1,2-dihydroquinazolin-4-one
CID 19617499
2-(4-chloro-3-nitrophenyl)-3-(2-methylpropyl)-1,2-dihydroquinazolin-4-one
CID 46803666

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one (CID 70069519) is 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one is O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc21.
What is the InChIKey of 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is RXSFXZCZWBGSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O4/c14-9-4-3-7(6-10(9)16(18)19)12-11-8(13(17)20-12)2-1-5-15-11/h1-6,12H.
What are the key properties of 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one?
7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 290.66 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-nitrophenyl)-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 70069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).