(4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate

C10H9ClN2O2 — CID 91098779

IUPAC(4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate
SMILESCCC(=O)On1ccc2c(Cl)nccc21
InChIInChI=1S/C10H9ClN2O2/c1-2-9(14)15-13-6-4-7-8(13)3-5-12-10(7)11/h3-6H,2H2,1H3
InChIKeyZXHPXEKAIUSTMZ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.05
Rot. Bonds2

About (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate

(4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate (PubChem CID 91098779) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate.

Molecular Properties

Compound Name(4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate
PubChem CID91098779
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate
SMILESCCC(=O)On1ccc2c(Cl)nccc21
InChIInChI=1S/C10H9ClN2O2/c1-2-9(14)15-13-6-4-7-8(13)3-5-12-10(7)11/h3-6H,2H2,1H3
InChIKeyZXHPXEKAIUSTMZ-UHFFFAOYSA-N
XLogP2.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate?
The IUPAC name of (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate (CID 91098779) is (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate.
What is the SMILES notation for (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate?
The canonical SMILES for (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate is CCC(=O)On1ccc2c(Cl)nccc21.
What is the InChIKey of (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate?
The InChIKey is ZXHPXEKAIUSTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-9(14)15-13-6-4-7-8(13)3-5-12-10(7)11/h3-6H,2H2,1H3.
What are the key properties of (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate?
(4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate has a molecular weight of 224.65 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrrolo[3,2-c]pyridin-1-yl) propanoate is sourced from PubChem (CID 91098779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).