tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate

C19H19FN2O2 — CID 126563638

IUPACtert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCc1cc2c(-c3cccc(F)c3)nccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H19FN2O2/c1-12-10-15-16(22(12)18(23)24-19(2,3)4)8-9-21-17(15)13-6-5-7-14(20)11-13/h5-11H,1-4H3
InChIKeyFQAGJEZXZNNFRP-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.93
Rot. Bonds1

About tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate

tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate (PubChem CID 126563638) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate
PubChem CID126563638
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Nametert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCc1cc2c(-c3cccc(F)c3)nccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H19FN2O2/c1-12-10-15-16(22(12)18(23)24-19(2,3)4)8-9-21-17(15)13-6-5-7-14(20)11-13/h5-11H,1-4H3
InChIKeyFQAGJEZXZNNFRP-UHFFFAOYSA-N
XLogP4.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate (CID 126563638) is tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate is Cc1cc2c(-c3cccc(F)c3)nccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate?
The InChIKey is FQAGJEZXZNNFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-10-15-16(22(12)18(23)24-19(2,3)4)8-9-21-17(15)13-6-5-7-14(20)11-13/h5-11H,1-4H3.
What are the key properties of tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate?
tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-fluorophenyl)-2-methylpyrrolo[3,2-c]pyridine-1-carboxylate is sourced from PubChem (CID 126563638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).