1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate

C19H19ClN2O3 — CID 175270164

IUPAC1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate
SMILESCC(=O)OC(C)OC(c1ccccn1)n1cc(C)c2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2O3/c1-12-11-22(18-8-7-15(20)10-16(12)18)19(17-6-4-5-9-21-17)25-14(3)24-13(2)23/h4-11,14,19H,1-3H3
InChIKeyGPXJYSPXZQZXMD-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.47
Rot. Bonds5

About 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate

1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate (PubChem CID 175270164) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate.

Molecular Properties

Compound Name1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate
PubChem CID175270164
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate
SMILESCC(=O)OC(C)OC(c1ccccn1)n1cc(C)c2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2O3/c1-12-11-22(18-8-7-15(20)10-16(12)18)19(17-6-4-5-9-21-17)25-14(3)24-13(2)23/h4-11,14,19H,1-3H3
InChIKeyGPXJYSPXZQZXMD-UHFFFAOYSA-N
XLogP4.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]acetate
CID 67093514
[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate
CID 101372660
3-(5-chloro-3-methylindol-1-yl)-3-phenylpropan-1-amine
CID 141126928
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
3,5-dichloro-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
CID 55967482
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
1-[6-chloro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]ethanone
CID 143391073
5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate?
The IUPAC name of 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate (CID 175270164) is 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate.
What is the SMILES notation for 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate?
The canonical SMILES for 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate is CC(=O)OC(C)OC(c1ccccn1)n1cc(C)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate?
The InChIKey is GPXJYSPXZQZXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12-11-22(18-8-7-15(20)10-16(12)18)19(17-6-4-5-9-21-17)25-14(3)24-13(2)23/h4-11,14,19H,1-3H3.
What are the key properties of 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate?
1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate has a molecular weight of 358.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methylindol-1-yl)-pyridin-2-ylmethoxy]ethyl acetate is sourced from PubChem (CID 175270164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).