2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide

C12H10ClF3N2O — CID 3478260

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-3-4-17-11(19)7(2)10-9(13)5-8(6-18-10)12(14,15)16/h1,5-7H,4H2,2H3,(H,17,19)
InChIKeyPKEFJBLEUYAKIY-UHFFFAOYSA-N
MW290.67 g/mol
LogP2.61
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide (PubChem CID 3478260) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide
PubChem CID3478260
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H10ClF3N2O/c1-3-4-17-11(19)7(2)10-9(13)5-8(6-18-10)12(14,15)16/h1,5-7H,4H2,2H3,(H,17,19)
InChIKeyPKEFJBLEUYAKIY-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide (CID 3478260) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide?
The InChIKey is PKEFJBLEUYAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-3-4-17-11(19)7(2)10-9(13)5-8(6-18-10)12(14,15)16/h1,5-7H,4H2,2H3,(H,17,19).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide has a molecular weight of 290.67 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 3478260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).