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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Related Compounds

tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
4-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 90193731
ditert-butyl 2,10-difluoro-6-methylindolo[2,3-b]carbazole-5,7-dicarboxylate
CID 67212019
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-1-carboxylate
CID 135286433
tert-butyl 3-(3-fluorophenyl)-4-(hydroxymethyl)indole-1-carboxylate
CID 46785701
tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 71256566
tert-butyl 2-chloro-5-fluoroindole-1-carboxylate
CID 125116334
tert-butyl pyrido[2,3-b]indole-9-carboxylate
CID 141177264
tert-butyl 2-oxo-4-phenylquinazoline-1-carboxylate
CID 84819280
1-O-tert-butyl 2-O-ethyl 4-fluoroindole-1,2-dicarboxylate
CID 58941047
tert-butyl 3-(4-fluorobenzoyl)-2-methylindole-1-carboxylate
CID 163211812

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).