2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile

C11H10ClN3 — CID 121439452

IUPAC2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C11H10ClN3/c1-11(2,6-13)9-5-15-10-8(9)3-7(12)4-14-10/h3-5H,1-2H3,(H,14,15)
InChIKeyWFWDPHSQIZGVBI-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.02
Rot. Bonds1

About 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile (PubChem CID 121439452) has the molecular formula C11H10ClN3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile
PubChem CID121439452
Molecular FormulaC11H10ClN3
Molecular Weight219.67 g/mol
Exact Mass219.06
IUPAC Name2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1c[nH]c2ncc(Cl)cc12
InChIInChI=1S/C11H10ClN3/c1-11(2,6-13)9-5-15-10-8(9)3-7(12)4-14-10/h3-5H,1-2H3,(H,14,15)
InChIKeyWFWDPHSQIZGVBI-UHFFFAOYSA-N
XLogP3.02
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile (CID 121439452) is 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile is CC(C)(C#N)c1c[nH]c2ncc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile?
The InChIKey is WFWDPHSQIZGVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-11(2,6-13)9-5-15-10-8(9)3-7(12)4-14-10/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile?
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile has a molecular weight of 219.67 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanenitrile is sourced from PubChem (CID 121439452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).