6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline

C17H12FN3 — CID 155583136

IUPAC6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline
SMILESCc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1
InChIInChI=1S/C17H12FN3/c1-11-6-12-4-5-21(16(12)10-19-11)17-8-14-7-15(18)3-2-13(14)9-20-17/h2-10H,1H3
InChIKeyXWJBPFRCVLEXOK-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.02
Rot. Bonds1

About 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline

6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline (PubChem CID 155583136) has the molecular formula C17H12FN3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline.

Molecular Properties

Compound Name6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline
PubChem CID155583136
Molecular FormulaC17H12FN3
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline
SMILESCc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1
InChIInChI=1S/C17H12FN3/c1-11-6-12-4-5-21(16(12)10-19-11)17-8-14-7-15(18)3-2-13(14)9-20-17/h2-10H,1H3
InChIKeyXWJBPFRCVLEXOK-UHFFFAOYSA-N
XLogP4.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
The IUPAC name of 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline (CID 155583136) is 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline.
What is the SMILES notation for 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
The canonical SMILES for 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline is Cc1cc2ccn(-c3cc4cc(F)ccc4cn3)c2cn1.
What is the InChIKey of 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
The InChIKey is XWJBPFRCVLEXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3/c1-11-6-12-4-5-21(16(12)10-19-11)17-8-14-7-15(18)3-2-13(14)9-20-17/h2-10H,1H3.
What are the key properties of 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline?
6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline has a molecular weight of 277.30 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline is sourced from PubChem (CID 155583136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).