6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile

C20H20ClF2N3 — CID 141298744

IUPAC6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile
SMILESCC(C)n1c(C2=CC=CCN2C(CF)CF)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C20H20ClF2N3/c1-13(2)26-19-9-14(21)6-7-16(19)17(12-24)20(26)18-5-3-4-8-25(18)15(10-22)11-23/h3-7,9,13,15H,8,10-11H2,1-2H3
InChIKeyWINZLHJNCWFTRP-UHFFFAOYSA-N
MW375.85 g/mol
LogP5.27
Rot. Bonds5

About 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile

6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile (PubChem CID 141298744) has the molecular formula C20H20ClF2N3 and a molecular weight of 375.85 g/mol. Its IUPAC name is 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile
PubChem CID141298744
Molecular FormulaC20H20ClF2N3
Molecular Weight375.85 g/mol
Exact Mass375.13
IUPAC Name6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile
SMILESCC(C)n1c(C2=CC=CCN2C(CF)CF)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C20H20ClF2N3/c1-13(2)26-19-9-14(21)6-7-16(19)17(12-24)20(26)18-5-3-4-8-25(18)15(10-22)11-23/h3-7,9,13,15H,8,10-11H2,1-2H3
InChIKeyWINZLHJNCWFTRP-UHFFFAOYSA-N
XLogP5.27
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.85
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile?
The IUPAC name of 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile (CID 141298744) is 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile?
The canonical SMILES for 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile is CC(C)n1c(C2=CC=CCN2C(CF)CF)c(C#N)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile?
The InChIKey is WINZLHJNCWFTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3/c1-13(2)26-19-9-14(21)6-7-16(19)17(12-24)20(26)18-5-3-4-8-25(18)15(10-22)11-23/h3-7,9,13,15H,8,10-11H2,1-2H3.
What are the key properties of 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile?
6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile has a molecular weight of 375.85 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(1,3-difluoropropan-2-yl)-2H-pyridin-6-yl]-1-propan-2-ylindole-3-carbonitrile is sourced from PubChem (CID 141298744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).