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

C14H11ClN2 — CID 580848

IUPAC1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESClc1ccc(Cn2ccc3cccnc32)cc1
InChIInChI=1S/C14H11ClN2/c15-13-5-3-11(4-6-13)10-17-9-7-12-2-1-8-16-14(12)17/h1-9H,10H2
InChIKeyUSNAFCVXAFLKAH-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.74
Rot. Bonds2

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

1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine (PubChem CID 580848) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine
PubChem CID580848
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine
SMILESClc1ccc(Cn2ccc3cccnc32)cc1
InChIInChI=1S/C14H11ClN2/c15-13-5-3-11(4-6-13)10-17-9-7-12-2-1-8-16-14(12)17/h1-9H,10H2
InChIKeyUSNAFCVXAFLKAH-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.74
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]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine (CID 580848) is 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine is Clc1ccc(Cn2ccc3cccnc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is USNAFCVXAFLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-5-3-11(4-6-13)10-17-9-7-12-2-1-8-16-14(12)17/h1-9H,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine?
1-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.74, 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]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 580848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).