(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C13H10N2O2 — CID 43463223

IUPAC(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1occc1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H10N2O2/c1-8-9(4-6-17-8)12(16)11-7-15-13-10(11)3-2-5-14-13/h2-7H,1H3,(H,14,15)
InChIKeyIAHUARAXEKSLNZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.70
Rot. Bonds2

About (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 43463223) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID43463223
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1occc1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H10N2O2/c1-8-9(4-6-17-8)12(16)11-7-15-13-10(11)3-2-5-14-13/h2-7H,1H3,(H,14,15)
InChIKeyIAHUARAXEKSLNZ-UHFFFAOYSA-N
XLogP2.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(2-amino-3-pyridinyl)-(2-methylfuran-3-yl)methanone
CID 104789356
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
(2,5-dimethylpyrazol-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58087209
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 43463223) is (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1occc1C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is IAHUARAXEKSLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-9(4-6-17-8)12(16)11-7-15-13-10(11)3-2-5-14-13/h2-7H,1H3,(H,14,15).
What are the key properties of (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 226.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 43463223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).