7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine

C19H19FN2O — CID 11573795

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine
SMILESC=CCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H19FN2O/c1-4-11-22-14(3)13(2)18-19(22)17(9-10-21-18)23-12-15-5-7-16(20)8-6-15/h4-10H,1,11-12H2,2-3H3
InChIKeyNKYMXTJJQKQDDN-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.56
Rot. Bonds5

About 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine (PubChem CID 11573795) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine
PubChem CID11573795
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine
SMILESC=CCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C19H19FN2O/c1-4-11-22-14(3)13(2)18-19(22)17(9-10-21-18)23-12-15-5-7-16(20)8-6-15/h4-10H,1,11-12H2,2-3H3
InChIKeyNKYMXTJJQKQDDN-UHFFFAOYSA-N
XLogP4.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine (CID 11573795) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine is C=CCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine?
The InChIKey is NKYMXTJJQKQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-4-11-22-14(3)13(2)18-19(22)17(9-10-21-18)23-12-15-5-7-16(20)8-6-15/h4-10H,1,11-12H2,2-3H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine has a molecular weight of 310.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11573795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).