3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine

C14H11ClN2 — CID 146162317

IUPAC3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
SMILESCn1c(-c2ccccc2)c(Cl)c2cccnc21
InChIInChI=1S/C14H11ClN2/c1-17-13(10-6-3-2-4-7-10)12(15)11-8-5-9-16-14(11)17/h2-9H,1H3
InChIKeyWEWOYVZUOAULRZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.89
Rot. Bonds1

About 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine

3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine (PubChem CID 146162317) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
PubChem CID146162317
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
SMILESCn1c(-c2ccccc2)c(Cl)c2cccnc21
InChIInChI=1S/C14H11ClN2/c1-17-13(10-6-3-2-4-7-10)12(15)11-8-5-9-16-14(11)17/h2-9H,1H3
InChIKeyWEWOYVZUOAULRZ-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine (CID 146162317) is 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine is Cn1c(-c2ccccc2)c(Cl)c2cccnc21.
What is the InChIKey of 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is WEWOYVZUOAULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-17-13(10-6-3-2-4-7-10)12(15)11-8-5-9-16-14(11)17/h2-9H,1H3.
What are the key properties of 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine?
3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146162317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).