7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone

C15H9FN2O3 — CID 58087521

IUPAC7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone
SMILESO=C(C1=CCc2ncccc21)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H9FN2O3/c16-13-5-3-9(18(20)21)8-12(13)15(19)11-4-6-14-10(11)2-1-7-17-14/h1-5,7-8H,6H2
InChIKeyYQRWJXAAKHTCSQ-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.95
Rot. Bonds3

About 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone

7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone (PubChem CID 58087521) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone.

Molecular Properties

Compound Name7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone
PubChem CID58087521
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone
SMILESO=C(C1=CCc2ncccc21)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H9FN2O3/c16-13-5-3-9(18(20)21)8-12(13)15(19)11-4-6-14-10(11)2-1-7-17-14/h1-5,7-8H,6H2
InChIKeyYQRWJXAAKHTCSQ-UHFFFAOYSA-N
XLogP2.95
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
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-fluoro-5-nitrobenzenecarbothioyl chloride
CID 135379049
2-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
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CID 22467360
2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide
CID 43524403
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
(Z)-1-(2-fluoro-5-nitrophenyl)but-2-en-1-one
CID 139227167
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257

Frequently Asked Questions

What is the IUPAC name of 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone?
The IUPAC name of 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone (CID 58087521) is 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone.
What is the SMILES notation for 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone?
The canonical SMILES for 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone is O=C(C1=CCc2ncccc21)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone?
The InChIKey is YQRWJXAAKHTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-13-5-3-9(18(20)21)8-12(13)15(19)11-4-6-14-10(11)2-1-7-17-14/h1-5,7-8H,6H2.
What are the key properties of 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone?
7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone has a molecular weight of 284.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-cyclopenta[b]pyridin-5-yl-(2-fluoro-5-nitrophenyl)methanone is sourced from PubChem (CID 58087521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).