[2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C17H14ClFN2O4 — CID 71085513

IUPAC[2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(OCCO)c3Cl)c2c1
InChIInChI=1S/C17H14ClFN2O4/c1-24-9-6-10-11(8-21-17(10)20-7-9)16(23)14-12(19)2-3-13(15(14)18)25-5-4-22/h2-3,6-8,22H,4-5H2,1H3,(H,20,21)
InChIKeyTUVJRFJXPDXNMP-UHFFFAOYSA-N
MW364.76 g/mol
LogP2.97
Rot. Bonds6

About [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 71085513) has the molecular formula C17H14ClFN2O4 and a molecular weight of 364.76 g/mol. Its IUPAC name is [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID71085513
Molecular FormulaC17H14ClFN2O4
Molecular Weight364.76 g/mol
Exact Mass364.06
IUPAC Name[2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(OCCO)c3Cl)c2c1
InChIInChI=1S/C17H14ClFN2O4/c1-24-9-6-10-11(8-21-17(10)20-7-9)16(23)14-12(19)2-3-13(15(14)18)25-5-4-22/h2-3,6-8,22H,4-5H2,1H3,(H,20,21)
InChIKeyTUVJRFJXPDXNMP-UHFFFAOYSA-N
XLogP2.97
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 71085513) is [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is COc1cnc2[nH]cc(C(=O)c3c(F)ccc(OCCO)c3Cl)c2c1.
What is the InChIKey of [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is TUVJRFJXPDXNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O4/c1-24-9-6-10-11(8-21-17(10)20-7-9)16(23)14-12(19)2-3-13(15(14)18)25-5-4-22/h2-3,6-8,22H,4-5H2,1H3,(H,20,21).
What are the key properties of [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 364.76 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-fluoro-3-(2-hydroxyethoxy)phenyl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 71085513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).