[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine

C12H14F3N3 — CID 114489498

IUPAC[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)9-3-6-18(7-4-9)11-2-1-5-17-10(11)8-16/h1-3,5H,4,6-8,16H2
InChIKeyWASXJQLVRHUHMP-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.24
Rot. Bonds2

About [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine

[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine (PubChem CID 114489498) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
PubChem CID114489498
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)9-3-6-18(7-4-9)11-2-1-5-17-10(11)8-16/h1-3,5H,4,6-8,16H2
InChIKeyWASXJQLVRHUHMP-UHFFFAOYSA-N
XLogP2.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-2-carboxylic acid
CID 114490783
[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
[2-ethylsulfanyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489474
[4-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114900813
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490083
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
CID 113338983
[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine
CID 114489453
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490084
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104930333
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-2-carbonitrile
CID 114460087
(1R)-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-pyridinyl]ethanamine
CID 104930323

Frequently Asked Questions

What is the IUPAC name of [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine (CID 114489498) is [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine is NCc1ncccc1N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine?
The InChIKey is WASXJQLVRHUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c13-12(14,15)9-3-6-18(7-4-9)11-2-1-5-17-10(11)8-16/h1-3,5H,4,6-8,16H2.
What are the key properties of [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine?
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine has a molecular weight of 257.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 114489498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).