ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate

C16H14ClNO2 — CID 14792995

IUPACethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
SMILESCCOC(=O)CC1(Cl)c2ccccc2-c2ncccc21
InChIInChI=1S/C16H14ClNO2/c1-2-20-14(19)10-16(17)12-7-4-3-6-11(12)15-13(16)8-5-9-18-15/h3-9H,2,10H2,1H3
InChIKeyJBXAVDFAWZHTCX-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.50
Rot. Bonds3

About ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate

ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate (PubChem CID 14792995) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
PubChem CID14792995
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Nameethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
SMILESCCOC(=O)CC1(Cl)c2ccccc2-c2ncccc21
InChIInChI=1S/C16H14ClNO2/c1-2-20-14(19)10-16(17)12-7-4-3-6-11(12)15-13(16)8-5-9-18-15/h3-9H,2,10H2,1H3
InChIKeyJBXAVDFAWZHTCX-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[5-(2-ethoxy-2-oxoethyl)-7,8-dihydroindeno[1,2-b]pyridin-5-yl]acetate
CID 167026191
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)acetate
CID 19261490
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
methyl 2-methyl-3-[5-(2-methylpropyl)indeno[1,2-b]pyridin-5-yl]propanoate
CID 164705552
carbon monoxide;chromium(6+);ethyl 2-[8-(2-ethoxy-2-oxoethyl)-7,8-dihydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]acetate
CID 11986200
ethyl 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate
CID 29016564
ethyl 2-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)acetate
CID 172740654
ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate
CID 118344197
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethane;ethyl 3-(2-chloro-3-pyridinyl)-3-oxopropanoate
CID 142186880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate?
The IUPAC name of ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate (CID 14792995) is ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate is CCOC(=O)CC1(Cl)c2ccccc2-c2ncccc21.
What is the InChIKey of ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate?
The InChIKey is JBXAVDFAWZHTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-20-14(19)10-16(17)12-7-4-3-6-11(12)15-13(16)8-5-9-18-15/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate?
ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate has a molecular weight of 287.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate is sourced from PubChem (CID 14792995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).