3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine

C15H15ClN2O — CID 71302960

IUPAC3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc(CN2Cc3cc(Cl)cnc3C2)cc1
InChIInChI=1S/C15H15ClN2O/c1-19-14-4-2-11(3-5-14)8-18-9-12-6-13(16)7-17-15(12)10-18/h2-7H,8-10H2,1H3
InChIKeyNQTQCPSPUSIKHY-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.26
Rot. Bonds3

About 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine

3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 71302960) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID71302960
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc(CN2Cc3cc(Cl)cnc3C2)cc1
InChIInChI=1S/C15H15ClN2O/c1-19-14-4-2-11(3-5-14)8-18-9-12-6-13(16)7-17-15(12)10-18/h2-7H,8-10H2,1H3
InChIKeyNQTQCPSPUSIKHY-UHFFFAOYSA-N
XLogP3.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine (CID 71302960) is 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine is COc1ccc(CN2Cc3cc(Cl)cnc3C2)cc1.
What is the InChIKey of 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is NQTQCPSPUSIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-19-14-4-2-11(3-5-14)8-18-9-12-6-13(16)7-17-15(12)10-18/h2-7H,8-10H2,1H3.
What are the key properties of 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine?
3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 274.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 71302960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).