N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine

C12H14F3N3O2 — CID 106748879

IUPACN-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCCCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)11-6-9(10(7-16-11)18(19)20)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
InChIKeyQRQSKUNBLZDGER-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.75
Rot. Bonds3

About N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine

N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 106748879) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
PubChem CID106748879
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCCCC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)11-6-9(10(7-16-11)18(19)20)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
InChIKeyQRQSKUNBLZDGER-UHFFFAOYSA-N
XLogP3.75
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106748967
N-(2-cyclobutylethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749604
5-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyridin-4-amine
CID 106749479
N-cyclopropyl-N'-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine
CID 106749753
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749415
5-nitro-N-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 106749939
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(trifluoromethyl)pyridin-4-amine
CID 106750006
3-[[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106832611
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]propane-1,3-diol
CID 106749403
5-nitro-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyridin-4-amine
CID 106749682
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine (CID 106748879) is N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine is O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is QRQSKUNBLZDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)11-6-9(10(7-16-11)18(19)20)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17).
What are the key properties of N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine?
N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 289.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 106748879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).