N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine

C10H10ClF3N2 — CID 165476052

IUPACN-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cc(CNC2CC2)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c11-9-4-6(5-15-7-1-2-7)3-8(16-9)10(12,13)14/h3-4,7,15H,1-2,5H2
InChIKeyAUWBZFRYUGKYLY-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.01
Rot. Bonds3

About N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine

N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 165476052) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID165476052
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC NameN-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cc(CNC2CC2)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c11-9-4-6(5-15-7-1-2-7)3-8(16-9)10(12,13)14/h3-4,7,15H,1-2,5H2
InChIKeyAUWBZFRYUGKYLY-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;boranuide;[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 160647175
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(3,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60790274
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
CID 103845476
cis-(1R,2S)-5-[[2-(dimethylamino)-6-(trifluoromethyl)-3-pyridinyl]methylamino]cycloheptane-1,2-diol
CID 154779429
N-[[3-chloro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 81145419
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
CID 145468613
N-[(3,5-dichloro-4-methoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 51138205
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine (CID 165476052) is N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine is FC(F)(F)c1cc(CNC2CC2)cc(Cl)n1.
What is the InChIKey of N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AUWBZFRYUGKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c11-9-4-6(5-15-7-1-2-7)3-8(16-9)10(12,13)14/h3-4,7,15H,1-2,5H2.
What are the key properties of N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 250.65 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 165476052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).