2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3O — CID 106130022

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC1CCC(O)CC1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)12-6-3-10(7-18)13(20-12)19-8-9-1-4-11(21)5-2-9/h3,6,9,11,21H,1-2,4-5,8H2,(H,19,20)
InChIKeyUIQRZXTXDISTSO-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.94
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 106130022) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID106130022
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC1CCC(O)CC1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)12-6-3-10(7-18)13(20-12)19-8-9-1-4-11(21)5-2-9/h3,6,9,11,21H,1-2,4-5,8H2,(H,19,20)
InChIKeyUIQRZXTXDISTSO-UHFFFAOYSA-N
XLogP2.94
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 106130022) is 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UIQRZXTXDISTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)12-6-3-10(7-18)13(20-12)19-8-9-1-4-11(21)5-2-9/h3,6,9,11,21H,1-2,4-5,8H2,(H,19,20).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 299.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 106130022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).