2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline

C16H12ClN3 — CID 174899050

IUPAC2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline
SMILESClc1cc2cccnc2[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H5ClN2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-5-2-1-3-9-7(5)10-6/h1-7H;1-4H,(H,9,10)
InChIKeyVGXQSPSMEHSERM-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.45
Rot. Bonds

About 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline

2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline (PubChem CID 174899050) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline.

Molecular Properties

Compound Name2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline
PubChem CID174899050
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline
SMILESClc1cc2cccnc2[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H5ClN2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-5-2-1-3-9-7(5)10-6/h1-7H;1-4H,(H,9,10)
InChIKeyVGXQSPSMEHSERM-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline?
The IUPAC name of 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline (CID 174899050) is 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline.
What is the SMILES notation for 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline?
The canonical SMILES for 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline is Clc1cc2cccnc2[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline?
The InChIKey is VGXQSPSMEHSERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H5ClN2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-5-2-1-3-9-7(5)10-6/h1-7H;1-4H,(H,9,10).
What are the key properties of 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline?
2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline has a molecular weight of 281.75 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline is sourced from PubChem (CID 174899050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).