1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile

C15H10ClN3 — CID 70923311

IUPAC1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2ccn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H10ClN3/c16-13-3-1-11(2-4-13)10-19-6-5-14-15(19)7-12(8-17)9-18-14/h1-7,9H,10H2
InChIKeyRSZMNAOEQWYICT-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.61
Rot. Bonds2

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

1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile (PubChem CID 70923311) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile
PubChem CID70923311
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2ccn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H10ClN3/c16-13-3-1-11(2-4-13)10-19-6-5-14-15(19)7-12(8-17)9-18-14/h1-7,9H,10H2
InChIKeyRSZMNAOEQWYICT-UHFFFAOYSA-N
XLogP3.61
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile (CID 70923311) is 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile is N#Cc1cnc2ccn(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile?
The InChIKey is RSZMNAOEQWYICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c16-13-3-1-11(2-4-13)10-19-6-5-14-15(19)7-12(8-17)9-18-14/h1-7,9H,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile?
1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile has a molecular weight of 267.72 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 70923311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).