2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile

C19H13ClF4N4O2 — CID 87513625

IUPAC2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(N[C@H](CCC(F)(F)F)CN2C(=O)c3ccccc3C2=O)nc1Cl
InChIInChI=1S/C19H13ClF4N4O2/c20-15-10(8-25)7-14(21)16(27-15)26-11(5-6-19(22,23)24)9-28-17(29)12-3-1-2-4-13(12)18(28)30/h1-4,7,11H,5-6,9H2,(H,26,27)/t11-/m1/s1
InChIKeyQNVAZKYIGKZFAV-LLVKDONJSA-N
MW440.78 g/mol
LogP4.16
Rot. Bonds6

About 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile

2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile (PubChem CID 87513625) has the molecular formula C19H13ClF4N4O2 and a molecular weight of 440.78 g/mol. Its IUPAC name is 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile
PubChem CID87513625
Molecular FormulaC19H13ClF4N4O2
Molecular Weight440.78 g/mol
Exact Mass440.07
IUPAC Name2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(N[C@H](CCC(F)(F)F)CN2C(=O)c3ccccc3C2=O)nc1Cl
InChIInChI=1S/C19H13ClF4N4O2/c20-15-10(8-25)7-14(21)16(27-15)26-11(5-6-19(22,23)24)9-28-17(29)12-3-1-2-4-13(12)18(28)30/h1-4,7,11H,5-6,9H2,(H,26,27)/t11-/m1/s1
InChIKeyQNVAZKYIGKZFAV-LLVKDONJSA-N
XLogP4.16
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile (CID 87513625) is 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile is N#Cc1cc(F)c(N[C@H](CCC(F)(F)F)CN2C(=O)c3ccccc3C2=O)nc1Cl.
What is the InChIKey of 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile?
The InChIKey is QNVAZKYIGKZFAV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H13ClF4N4O2/c20-15-10(8-25)7-14(21)16(27-15)26-11(5-6-19(22,23)24)9-28-17(29)12-3-1-2-4-13(12)18(28)30/h1-4,7,11H,5-6,9H2,(H,26,27)/t11-/m1/s1.
What are the key properties of 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile?
2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile has a molecular weight of 440.78 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(2R)-1-(1,3-dioxoisoindol-2-yl)-5,5,5-trifluoropentan-2-yl]amino]-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 87513625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).