2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile

C15H17N3 — CID 175727387

IUPAC2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile
SMILESN#CCC1(c2cc3cccnc3[nH]2)CCCCC1
InChIInChI=1S/C15H17N3/c16-9-8-15(6-2-1-3-7-15)13-11-12-5-4-10-17-14(12)18-13/h4-5,10-11H,1-3,6-8H2,(H,17,18)
InChIKeyUEWGZKCQHXRBOM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.68
Rot. Bonds2

About 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile

2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile (PubChem CID 175727387) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile
PubChem CID175727387
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile
SMILESN#CCC1(c2cc3cccnc3[nH]2)CCCCC1
InChIInChI=1S/C15H17N3/c16-9-8-15(6-2-1-3-7-15)13-11-12-5-4-10-17-14(12)18-13/h4-5,10-11H,1-3,6-8H2,(H,17,18)
InChIKeyUEWGZKCQHXRBOM-UHFFFAOYSA-N
XLogP3.68
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile?
The IUPAC name of 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile (CID 175727387) is 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile?
The canonical SMILES for 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile is N#CCC1(c2cc3cccnc3[nH]2)CCCCC1.
What is the InChIKey of 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile?
The InChIKey is UEWGZKCQHXRBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-9-8-15(6-2-1-3-7-15)13-11-12-5-4-10-17-14(12)18-13/h4-5,10-11H,1-3,6-8H2,(H,17,18).
What are the key properties of 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile?
2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohexyl]acetonitrile is sourced from PubChem (CID 175727387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).