(3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone

C17H14Cl2N2O2 — CID 164867670

IUPAC(3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCc1c(C(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccnc2n1C
InChIInChI=1S/C17H14Cl2N2O2/c1-3-13-14(10-5-4-6-20-17(10)21(13)2)15(22)9-7-11(18)16(23)12(19)8-9/h4-8,23H,3H2,1-2H3
InChIKeyYSPZPTNGQDUWOV-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.38
Rot. Bonds3

About (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone

(3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 164867670) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID164867670
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCc1c(C(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccnc2n1C
InChIInChI=1S/C17H14Cl2N2O2/c1-3-13-14(10-5-4-6-20-17(10)21(13)2)15(22)9-7-11(18)16(23)12(19)8-9/h4-8,23H,3H2,1-2H3
InChIKeyYSPZPTNGQDUWOV-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone (CID 164867670) is (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone is CCc1c(C(=O)c2cc(Cl)c(O)c(Cl)c2)c2cccnc2n1C.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is YSPZPTNGQDUWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-3-13-14(10-5-4-6-20-17(10)21(13)2)15(22)9-7-11(18)16(23)12(19)8-9/h4-8,23H,3H2,1-2H3.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
(3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 349.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 164867670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).