methyl 5H-indeno[2,1-b]pyridine-6-carboxylate

C14H11NO2 — CID 141297414

IUPACmethyl 5H-indeno[2,1-b]pyridine-6-carboxylate
SMILESCOC(=O)C1=CC=C2C=c3ncccc3=C2C1
InChIInChI=1S/C14H11NO2/c1-17-14(16)10-5-4-9-8-13-11(12(9)7-10)3-2-6-15-13/h2-6,8H,7H2,1H3
InChIKeyMOIXZVPDWYXDOV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.46
Rot. Bonds1

About methyl 5H-indeno[2,1-b]pyridine-6-carboxylate

methyl 5H-indeno[2,1-b]pyridine-6-carboxylate (PubChem CID 141297414) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 5H-indeno[2,1-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5H-indeno[2,1-b]pyridine-6-carboxylate
PubChem CID141297414
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Namemethyl 5H-indeno[2,1-b]pyridine-6-carboxylate
SMILESCOC(=O)C1=CC=C2C=c3ncccc3=C2C1
InChIInChI=1S/C14H11NO2/c1-17-14(16)10-5-4-9-8-13-11(12(9)7-10)3-2-6-15-13/h2-6,8H,7H2,1H3
InChIKeyMOIXZVPDWYXDOV-UHFFFAOYSA-N
XLogP0.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methanol;methyl 2-methylpyridine-3-carboxylate
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CID 166536861
CID 87392386
CID 87392386
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666

Frequently Asked Questions

What is the IUPAC name of methyl 5H-indeno[2,1-b]pyridine-6-carboxylate?
The IUPAC name of methyl 5H-indeno[2,1-b]pyridine-6-carboxylate (CID 141297414) is methyl 5H-indeno[2,1-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5H-indeno[2,1-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 5H-indeno[2,1-b]pyridine-6-carboxylate is COC(=O)C1=CC=C2C=c3ncccc3=C2C1.
What is the InChIKey of methyl 5H-indeno[2,1-b]pyridine-6-carboxylate?
The InChIKey is MOIXZVPDWYXDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-14(16)10-5-4-9-8-13-11(12(9)7-10)3-2-6-15-13/h2-6,8H,7H2,1H3.
What are the key properties of methyl 5H-indeno[2,1-b]pyridine-6-carboxylate?
methyl 5H-indeno[2,1-b]pyridine-6-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5H-indeno[2,1-b]pyridine-6-carboxylate is sourced from PubChem (CID 141297414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).