7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine

C18H19ClN2O — CID 11681846

IUPAC7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCCn1c(C)c(C)c2ccnc(COc3ccc(Cl)cc3)c21
InChIInChI=1S/C18H19ClN2O/c1-4-21-13(3)12(2)16-9-10-20-17(18(16)21)11-22-15-7-5-14(19)6-8-15/h5-10H,4,11H2,1-3H3
InChIKeyLKUWKABGKGKFEE-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.91
Rot. Bonds4

About 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine

7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11681846) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID11681846
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCCn1c(C)c(C)c2ccnc(COc3ccc(Cl)cc3)c21
InChIInChI=1S/C18H19ClN2O/c1-4-21-13(3)12(2)16-9-10-20-17(18(16)21)11-22-15-7-5-14(19)6-8-15/h5-10H,4,11H2,1-3H3
InChIKeyLKUWKABGKGKFEE-UHFFFAOYSA-N
XLogP4.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(4-Chlorophenyl)triazol-4-yl]methoxy]quinoline
CID 44222802
(1-Chloro-7-Methoxy-9h-Beta-Carbolin-9-Yl)acetonitrile
CID 91664024
5-Chloro-1-(4-fluoro-phenyl)-3-(2-piperidin-1-yl-ethoxy)-1H-indole
CID 10499570
2-(4-Chloro-phenoxymethyl)-1-methyl-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 10524003
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10544602
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
5-Chloro-1-(4-fluoro-phenyl)-3-(2-morpholin-4-yl-ethoxy)-1H-indole
CID 10595604
1''-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3-ylmethyl]-[1,4'']bipiperidinyl
CID 10671331
1-Benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11538092
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11558912
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine
CID 11616595
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
CID 11659585

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11681846) is 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine is CCn1c(C)c(C)c2ccnc(COc3ccc(Cl)cc3)c21.
What is the InChIKey of 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is LKUWKABGKGKFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-4-21-13(3)12(2)16-9-10-20-17(18(16)21)11-22-15-7-5-14(19)6-8-15/h5-10H,4,11H2,1-3H3.
What are the key properties of 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine?
7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 314.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11681846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).