N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2 — CID 107320732

IUPACN-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCCCCCCl)c1
InChIInChI=1S/C11H14ClF3N2/c12-5-2-1-3-6-16-10-8-9(4-7-17-10)11(13,14)15/h4,7-8H,1-3,5-6H2,(H,16,17)
InChIKeySLSJUFLSNFUUJB-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.92
Rot. Bonds6

About N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine

N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 107320732) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID107320732
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC NameN-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCCCCCCl)c1
InChIInChI=1S/C11H14ClF3N2/c12-5-2-1-3-6-16-10-8-9(4-7-17-10)11(13,14)15/h4,7-8H,1-3,5-6H2,(H,16,17)
InChIKeySLSJUFLSNFUUJB-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-(3-chloro-2,2-dimethylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115363721
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine (CID 107320732) is N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCCCCCCl)c1.
What is the InChIKey of N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SLSJUFLSNFUUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c12-5-2-1-3-6-16-10-8-9(4-7-17-10)11(13,14)15/h4,7-8H,1-3,5-6H2,(H,16,17).
What are the key properties of N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107320732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).