1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine

C15H13ClN2 — CID 67984828

IUPAC1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine
SMILESCc1cc2ncccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2/c1-11-9-14-15(3-2-8-17-14)18(11)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyJKFLIOMVANMQGK-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.05
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine

1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine (PubChem CID 67984828) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine
PubChem CID67984828
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine
SMILESCc1cc2ncccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2/c1-11-9-14-15(3-2-8-17-14)18(11)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyJKFLIOMVANMQGK-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine (CID 67984828) is 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine is Cc1cc2ncccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine?
The InChIKey is JKFLIOMVANMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-11-9-14-15(3-2-8-17-14)18(11)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine?
1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine has a molecular weight of 256.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67984828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).