2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile

C19H11F6N5 — CID 87275916

IUPAC2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile
SMILESCc1[nH]nc2cc(F)c(-c3c(C#N)c(CCC(F)(F)F)nc(C(F)F)c3C#N)cc12
InChIInChI=1S/C19H11F6N5/c1-8-9-4-10(13(20)5-15(9)30-29-8)16-11(6-26)14(2-3-19(23,24)25)28-17(18(21)22)12(16)7-27/h4-5,18H,2-3H2,1H3,(H,29,30)
InChIKeyLEZGOPFREBAEFD-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.25
Rot. Bonds4

About 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile

2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile (PubChem CID 87275916) has the molecular formula C19H11F6N5 and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile
PubChem CID87275916
Molecular FormulaC19H11F6N5
Molecular Weight423.32 g/mol
Exact Mass423.09
IUPAC Name2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile
SMILESCc1[nH]nc2cc(F)c(-c3c(C#N)c(CCC(F)(F)F)nc(C(F)F)c3C#N)cc12
InChIInChI=1S/C19H11F6N5/c1-8-9-4-10(13(20)5-15(9)30-29-8)16-11(6-26)14(2-3-19(23,24)25)28-17(18(21)22)12(16)7-27/h4-5,18H,2-3H2,1H3,(H,29,30)
InChIKeyLEZGOPFREBAEFD-UHFFFAOYSA-N
XLogP5.25
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile (CID 87275916) is 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile is Cc1[nH]nc2cc(F)c(-c3c(C#N)c(CCC(F)(F)F)nc(C(F)F)c3C#N)cc12.
What is the InChIKey of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile?
The InChIKey is LEZGOPFREBAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6N5/c1-8-9-4-10(13(20)5-15(9)30-29-8)16-11(6-26)14(2-3-19(23,24)25)28-17(18(21)22)12(16)7-27/h4-5,18H,2-3H2,1H3,(H,29,30).
What are the key properties of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile?
2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile has a molecular weight of 423.32 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-(3,3,3-trifluoropropyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 87275916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).