3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide

C9H6ClF3N2O — CID 169482785

IUPAC3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C9H6ClF3N2O/c10-7-4-5(1-2-8(14)16)3-6(15-7)9(11,12)13/h1-4H,(H2,14,16)
InChIKeyTWTJEEFVXGZQHX-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.25
Rot. Bonds2

About 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide

3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide (PubChem CID 169482785) has the molecular formula C9H6ClF3N2O and a molecular weight of 250.61 g/mol. Its IUPAC name is 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide
PubChem CID169482785
Molecular FormulaC9H6ClF3N2O
Molecular Weight250.61 g/mol
Exact Mass250.01
IUPAC Name3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C9H6ClF3N2O/c10-7-4-5(1-2-8(14)16)3-6(15-7)9(11,12)13/h1-4H,(H2,14,16)
InChIKeyTWTJEEFVXGZQHX-UHFFFAOYSA-N
XLogP2.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]but-3-en-1-ol
CID 170477660
3-[3-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482204
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine
CID 169462799
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 169481820
3-(3-amino-5-chlorophenyl)prop-2-enamide
CID 169481525
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
CID 55267922
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide?
The IUPAC name of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide (CID 169482785) is 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide?
The canonical SMILES for 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide is NC(=O)C=Cc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide?
The InChIKey is TWTJEEFVXGZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O/c10-7-4-5(1-2-8(14)16)3-6(15-7)9(11,12)13/h1-4H,(H2,14,16).
What are the key properties of 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide?
3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide has a molecular weight of 250.61 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 169482785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).