(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone

C13H13ClN2O2 — CID 113326150

IUPAC(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C13H13ClN2O2/c1-7-8(3-5-18-7)12(17)9-6-16-13-11(9)10(14)2-4-15-13/h2,4,6-8H,3,5H2,1H3,(H,15,16)
InChIKeyCQPMDQUPKAVNPA-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.82
Rot. Bonds2

About (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone

(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 113326150) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID113326150
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C13H13ClN2O2/c1-7-8(3-5-18-7)12(17)9-6-16-13-11(9)10(14)2-4-15-13/h2,4,6-8H,3,5H2,1H3,(H,15,16)
InChIKeyCQPMDQUPKAVNPA-UHFFFAOYSA-N
XLogP2.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone (CID 113326150) is (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is CQPMDQUPKAVNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-8(3-5-18-7)12(17)9-6-16-13-11(9)10(14)2-4-15-13/h2,4,6-8H,3,5H2,1H3,(H,15,16).
What are the key properties of (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone?
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 264.71 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 113326150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).