5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile

C16H12FN3 — CID 141298756

IUPAC5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile
SMILESCc1ccc(-n2cc(C#N)c3cc(F)c(C)cc32)nc1
InChIInChI=1S/C16H12FN3/c1-10-3-4-16(19-8-10)20-9-12(7-18)13-6-14(17)11(2)5-15(13)20/h3-6,8-9H,1-2H3
InChIKeyUPTANZYCTLOFIL-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.65
Rot. Bonds1

About 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile

5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile (PubChem CID 141298756) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile
PubChem CID141298756
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile
SMILESCc1ccc(-n2cc(C#N)c3cc(F)c(C)cc32)nc1
InChIInChI=1S/C16H12FN3/c1-10-3-4-16(19-8-10)20-9-12(7-18)13-6-14(17)11(2)5-15(13)20/h3-6,8-9H,1-2H3
InChIKeyUPTANZYCTLOFIL-UHFFFAOYSA-N
XLogP3.65
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile?
The IUPAC name of 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile (CID 141298756) is 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile is Cc1ccc(-n2cc(C#N)c3cc(F)c(C)cc32)nc1.
What is the InChIKey of 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile?
The InChIKey is UPTANZYCTLOFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c1-10-3-4-16(19-8-10)20-9-12(7-18)13-6-14(17)11(2)5-15(13)20/h3-6,8-9H,1-2H3.
What are the key properties of 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile?
5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(5-methyl-2-pyridinyl)indole-3-carbonitrile is sourced from PubChem (CID 141298756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).