methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate

C14H10BrNO3 — CID 158177783

IUPACmethyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)Cc1c(Br)c[nH]c(=O)c1-2
InChIInChI=1S/C14H10BrNO3/c1-19-14(18)7-2-3-9-8(4-7)5-10-11(15)6-16-13(17)12(9)10/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyFYFAKFMIOZZGET-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.50
Rot. Bonds1

About methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate

methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate (PubChem CID 158177783) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate
PubChem CID158177783
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Namemethyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)Cc1c(Br)c[nH]c(=O)c1-2
InChIInChI=1S/C14H10BrNO3/c1-19-14(18)7-2-3-9-8(4-7)5-10-11(15)6-16-13(17)12(9)10/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyFYFAKFMIOZZGET-UHFFFAOYSA-N
XLogP2.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174490789
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CID 158287878
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
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methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 53224136
methyl 3-(6-chloro-3-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxylate
CID 87731790
dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
CID 138453798
ethane;methyl 3-bromo-4-hydroxybenzoate
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methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 91608162
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate?
The IUPAC name of methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate (CID 158177783) is methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate is COC(=O)c1ccc2c(c1)Cc1c(Br)c[nH]c(=O)c1-2.
What is the InChIKey of methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate?
The InChIKey is FYFAKFMIOZZGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c1-19-14(18)7-2-3-9-8(4-7)5-10-11(15)6-16-13(17)12(9)10/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate?
methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate has a molecular weight of 320.14 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-1-oxo-2,5-dihydroindeno[1,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 158177783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).