(2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate

C14H16N2O3 — CID 118680510

IUPAC(2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate
SMILESCCCCC(=O)c1cc2ccc(OC(C)=O)nc2[nH]1
InChIInChI=1S/C14H16N2O3/c1-3-4-5-12(18)11-8-10-6-7-13(19-9(2)17)16-14(10)15-11/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyJLDUFDHBXBGBDT-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.86
Rot. Bonds5

About (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate

(2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate (PubChem CID 118680510) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate.

Molecular Properties

Compound Name(2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate
PubChem CID118680510
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate
SMILESCCCCC(=O)c1cc2ccc(OC(C)=O)nc2[nH]1
InChIInChI=1S/C14H16N2O3/c1-3-4-5-12(18)11-8-10-6-7-13(19-9(2)17)16-14(10)15-11/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyJLDUFDHBXBGBDT-UHFFFAOYSA-N
XLogP2.86
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(6-bromo-5-ethyl-2-pyridinyl) acetate
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1-(6-pentanoyl-2-pyridinyl)pentan-1-one
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(6-octylnaphthalen-2-yl) acetate
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4-amino-1-(7-hydroxy-1H-indol-2-yl)butan-1-one
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quinolin-2-yl (2S)-2-(decanoylamino)propanoate
CID 91488832
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
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Frequently Asked Questions

What is the IUPAC name of (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate?
The IUPAC name of (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate (CID 118680510) is (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate.
What is the SMILES notation for (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate?
The canonical SMILES for (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate is CCCCC(=O)c1cc2ccc(OC(C)=O)nc2[nH]1.
What is the InChIKey of (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate?
The InChIKey is JLDUFDHBXBGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-4-5-12(18)11-8-10-6-7-13(19-9(2)17)16-14(10)15-11/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate?
(2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate has a molecular weight of 260.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentanoyl-1H-pyrrolo[2,3-b]pyridin-6-yl) acetate is sourced from PubChem (CID 118680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).