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

C10H9ClN2O — CID 115512659

IUPAC1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESCCC(=O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C10H9ClN2O/c1-2-8(14)6-5-13-10-9(6)7(11)3-4-12-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyOITRCRZVTBVACG-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.81
Rot. Bonds2

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

1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (PubChem CID 115512659) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
PubChem CID115512659
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESCCC(=O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C10H9ClN2O/c1-2-8(14)6-5-13-10-9(6)7(11)3-4-12-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyOITRCRZVTBVACG-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The IUPAC name of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (CID 115512659) is 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is CCC(=O)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The InChIKey is OITRCRZVTBVACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-8(14)6-5-13-10-9(6)7(11)3-4-12-10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one has a molecular weight of 208.65 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 115512659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).