2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile

C10H9N3 — CID 82412113

IUPAC2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
SMILESCC(C#N)c1c[nH]c2ccncc12
InChIInChI=1S/C10H9N3/c1-7(4-11)8-6-13-10-2-3-12-5-9(8)10/h2-3,5-7,13H,1H3
InChIKeyLUUYJJHEPWSLOR-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.19
Rot. Bonds1

About 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile

2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile (PubChem CID 82412113) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile.

Molecular Properties

Compound Name2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
PubChem CID82412113
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile
SMILESCC(C#N)c1c[nH]c2ccncc12
InChIInChI=1S/C10H9N3/c1-7(4-11)8-6-13-10-2-3-12-5-9(8)10/h2-3,5-7,13H,1H3
InChIKeyLUUYJJHEPWSLOR-UHFFFAOYSA-N
XLogP2.19
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-1-phenylpropyl)-1H-pyrrolo[3,2-c]pyridine
CID 70909510
ethane;3-methyl-1H-pyrrolo[3,2-c]pyridine
CID 143713533
N-methyl-N-[2-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethyl]propan-2-amine
CID 167469236
4-propan-2-yl-2H-2,6-naphthyridin-1-one
CID 159787624
3-methyl-2-(5H-pyrido[4,3-b]indol-8-yl)butanenitrile
CID 116985919
piperidin-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanol
CID 102626838
4-N-[1-(1H-indol-3-yl)ethyl]pyridine-3,4-diamine
CID 23619530
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
2-(5-methoxy-1H-indol-3-yl)-2-(pyridin-4-ylmethylamino)acetonitrile
CID 84817162
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
CID 166273321
4-propan-2-yl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)-4,5-dihydro-1,3-thiazole
CID 174716150

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile?
The IUPAC name of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile (CID 82412113) is 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile.
What is the SMILES notation for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile?
The canonical SMILES for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile is CC(C#N)c1c[nH]c2ccncc12.
What is the InChIKey of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile?
The InChIKey is LUUYJJHEPWSLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7(4-11)8-6-13-10-2-3-12-5-9(8)10/h2-3,5-7,13H,1H3.
What are the key properties of 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile?
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile has a molecular weight of 171.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanenitrile is sourced from PubChem (CID 82412113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).