6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine

C16H17FN2 — CID 118169635

IUPAC6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine
SMILESCC1(C)CNc2cc(Cc3cccc(F)c3)cnc21
InChIInChI=1S/C16H17FN2/c1-16(2)10-19-14-8-12(9-18-15(14)16)6-11-4-3-5-13(17)7-11/h3-5,7-9,19H,6,10H2,1-2H3
InChIKeyUFBGYCVQMPAEGW-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.51
Rot. Bonds2

About 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine

6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine (PubChem CID 118169635) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine
PubChem CID118169635
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine
SMILESCC1(C)CNc2cc(Cc3cccc(F)c3)cnc21
InChIInChI=1S/C16H17FN2/c1-16(2)10-19-14-8-12(9-18-15(14)16)6-11-4-3-5-13(17)7-11/h3-5,7-9,19H,6,10H2,1-2H3
InChIKeyUFBGYCVQMPAEGW-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine (CID 118169635) is 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine is CC1(C)CNc2cc(Cc3cccc(F)c3)cnc21.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is UFBGYCVQMPAEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-16(2)10-19-14-8-12(9-18-15(14)16)6-11-4-3-5-13(17)7-11/h3-5,7-9,19H,6,10H2,1-2H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine?
6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 256.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118169635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).