4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile

C11H10ClF3N4 — CID 175640206

IUPAC4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H10ClF3N4/c12-8-5-10(18-9(6-16)17-8)19-3-1-7(2-4-19)11(13,14)15/h5,7H,1-4H2
InChIKeyQUCRJZZHASLWSI-UHFFFAOYSA-N
MW290.68 g/mol
LogP2.78
Rot. Bonds1

About 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile

4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile (PubChem CID 175640206) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
PubChem CID175640206
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H10ClF3N4/c12-8-5-10(18-9(6-16)17-8)19-3-1-7(2-4-19)11(13,14)15/h5,7H,1-4H2
InChIKeyQUCRJZZHASLWSI-UHFFFAOYSA-N
XLogP2.78
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile (CID 175640206) is 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile is N#Cc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile?
The InChIKey is QUCRJZZHASLWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c12-8-5-10(18-9(6-16)17-8)19-3-1-7(2-4-19)11(13,14)15/h5,7H,1-4H2.
What are the key properties of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile?
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile has a molecular weight of 290.68 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 175640206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).