1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile

C12H13N3O — CID 84681119

IUPAC1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCC(C)Oc1ccnc2c1c(C#N)cn2C
InChIInChI=1S/C12H13N3O/c1-8(2)16-10-4-5-14-12-11(10)9(6-13)7-15(12)3/h4-5,7-8H,1-3H3
InChIKeyAVAWIXYFNVYYPB-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.23
Rot. Bonds2

About 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile

1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 84681119) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID84681119
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCC(C)Oc1ccnc2c1c(C#N)cn2C
InChIInChI=1S/C12H13N3O/c1-8(2)16-10-4-5-14-12-11(10)9(6-13)7-15(12)3/h4-5,7-8H,1-3H3
InChIKeyAVAWIXYFNVYYPB-UHFFFAOYSA-N
XLogP2.23
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84697473
4-methoxy-1-methylpyrrolo[3,2-c]pyridine-3-carbonitrile
CID 133058980
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
3-methyl-7-propan-2-yloxyimidazo[4,5-b]pyridine-2-carbaldehyde
CID 84684645
3-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
2-[1-(1-methylimidazol-2-yl)ethoxy]benzonitrile
CID 117052836
1-[1-(benzenesulfonyl)-4-propan-2-yloxypyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 24801532
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
CID 145487043
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile (CID 84681119) is 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile is CC(C)Oc1ccnc2c1c(C#N)cn2C.
What is the InChIKey of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is AVAWIXYFNVYYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(2)16-10-4-5-14-12-11(10)9(6-13)7-15(12)3/h4-5,7-8H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile?
1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yloxypyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 84681119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).