methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate

C16H14N2O2 — CID 73013659

IUPACmethyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C16H14N2O2/c1-11-3-6-13(7-4-11)18-10-9-12-5-8-14(16(19)20-2)17-15(12)18/h3-10H,1-2H3
InChIKeyHDRZXMNVRTUAJO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds2

About methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate

methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate (PubChem CID 73013659) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID73013659
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C16H14N2O2/c1-11-3-6-13(7-4-11)18-10-9-12-5-8-14(16(19)20-2)17-15(12)18/h3-10H,1-2H3
InChIKeyHDRZXMNVRTUAJO-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate (CID 73013659) is methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate is COC(=O)c1ccc2ccn(-c3ccc(C)cc3)c2n1.
What is the InChIKey of methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate?
The InChIKey is HDRZXMNVRTUAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-6-13(7-4-11)18-10-9-12-5-8-14(16(19)20-2)17-15(12)18/h3-10H,1-2H3.
What are the key properties of methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate?
methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 73013659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).