3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile

C15H10FN3 — CID 166395343

IUPAC3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile
SMILESCc1cc(F)c(C#N)nc1-c1cccc2cc[nH]c12
InChIInChI=1S/C15H10FN3/c1-9-7-12(16)13(8-17)19-14(9)11-4-2-3-10-5-6-18-15(10)11/h2-7,18H,1H3
InChIKeyIDDPVEHZGPDITK-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.55
Rot. Bonds1

About 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile

3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile (PubChem CID 166395343) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile
PubChem CID166395343
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile
SMILESCc1cc(F)c(C#N)nc1-c1cccc2cc[nH]c12
InChIInChI=1S/C15H10FN3/c1-9-7-12(16)13(8-17)19-14(9)11-4-2-3-10-5-6-18-15(10)11/h2-7,18H,1H3
InChIKeyIDDPVEHZGPDITK-UHFFFAOYSA-N
XLogP3.55
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile (CID 166395343) is 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile is Cc1cc(F)c(C#N)nc1-c1cccc2cc[nH]c12.
What is the InChIKey of 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile?
The InChIKey is IDDPVEHZGPDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c1-9-7-12(16)13(8-17)19-14(9)11-4-2-3-10-5-6-18-15(10)11/h2-7,18H,1H3.
What are the key properties of 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile?
3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(1H-indol-7-yl)-5-methylpyridine-2-carbonitrile is sourced from PubChem (CID 166395343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).