3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine

C9H7F3N2 — CID 122241816

IUPAC3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine
SMILESNCC#Cc1ncccc1C(F)(F)F
InChIInChI=1S/C9H7F3N2/c10-9(11,12)7-3-2-6-14-8(7)4-1-5-13/h2-3,6H,5,13H2
InChIKeyKGPWNLGMAVNZTF-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.41
Rot. Bonds

About 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine

3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine (PubChem CID 122241816) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine
PubChem CID122241816
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine
SMILESNCC#Cc1ncccc1C(F)(F)F
InChIInChI=1S/C9H7F3N2/c10-9(11,12)7-3-2-6-14-8(7)4-1-5-13/h2-3,6H,5,13H2
InChIKeyKGPWNLGMAVNZTF-UHFFFAOYSA-N
XLogP1.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-[3-(trifluoromethyl)-2-pyridinyl]but-3-ynyl]carbamate
CID 170462925
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
CID 115008718
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 131168070
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
2-benzyl-3-(trifluoromethyl)pyridine
CID 58230279
3-(3-amino-2-pyridinyl)prop-2-yn-1-ol
CID 169484651
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine (CID 122241816) is 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine is NCC#Cc1ncccc1C(F)(F)F.
What is the InChIKey of 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine?
The InChIKey is KGPWNLGMAVNZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c10-9(11,12)7-3-2-6-14-8(7)4-1-5-13/h2-3,6H,5,13H2.
What are the key properties of 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine?
3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine has a molecular weight of 200.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine is sourced from PubChem (CID 122241816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).