3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide

C9H7F3N2O — CID 169482100

IUPAC3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-3-4-14-7(5-6)1-2-8(13)15/h1-5H,(H2,13,15)
InChIKeyHDGZLQAEFPFZDR-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.60
Rot. Bonds2

About 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide

3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide (PubChem CID 169482100) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
PubChem CID169482100
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-3-4-14-7(5-6)1-2-8(13)15/h1-5H,(H2,13,15)
InChIKeyHDGZLQAEFPFZDR-UHFFFAOYSA-N
XLogP1.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

S-[4-[4-(trifluoromethyl)-2-pyridinyl]but-3-enyl] ethanethioate
CID 170480494
3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482321
3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482778
2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine
CID 169462089
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
9H-fluoren-9-ylmethyl N-[3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169469934
1-(4-bromo-2-pyridinyl)-4,4,5,5,5-pentafluoropent-1-en-3-one
CID 131735949
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482204
4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide
CID 118855339
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
ethane;(E)-3-[7-[3-(trifluoromethyl)phenoxy]quinolin-5-yl]prop-2-enamide
CID 155732683
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
The IUPAC name of 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide (CID 169482100) is 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
The canonical SMILES for 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide is NC(=O)C=Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
The InChIKey is HDGZLQAEFPFZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)6-3-4-14-7(5-6)1-2-8(13)15/h1-5H,(H2,13,15).
What are the key properties of 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide?
3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide has a molecular weight of 216.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 169482100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).