5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine

C14H10ClN3O — CID 135061376

IUPAC5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine
SMILESO=Nc1c(Cl)[nH]c2ncc(Cc3ccccc3)cc12
InChIInChI=1S/C14H10ClN3O/c15-13-12(18-19)11-7-10(8-16-14(11)17-13)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyPCPMRPVDEHRBLJ-UHFFFAOYSA-N
MW271.71 g/mol
LogP4.20
Rot. Bonds3

About 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine

5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine (PubChem CID 135061376) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine
PubChem CID135061376
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine
SMILESO=Nc1c(Cl)[nH]c2ncc(Cc3ccccc3)cc12
InChIInChI=1S/C14H10ClN3O/c15-13-12(18-19)11-7-10(8-16-14(11)17-13)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyPCPMRPVDEHRBLJ-UHFFFAOYSA-N
XLogP4.20
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine (CID 135061376) is 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine is O=Nc1c(Cl)[nH]c2ncc(Cc3ccccc3)cc12.
What is the InChIKey of 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PCPMRPVDEHRBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-13-12(18-19)11-7-10(8-16-14(11)17-13)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17).
What are the key properties of 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine?
5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 271.71 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-chloro-3-nitroso-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135061376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).