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

C9H7Cl2F3N2O — CID 3871588

IUPAC2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(Cl)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7Cl2F3N2O/c1-4(10)8(17)16-7-6(11)2-5(3-15-7)9(12,13)14/h2-4H,1H3,(H,15,16,17)
InChIKeySYJOJINJYYDHFL-UHFFFAOYSA-N
MW287.07 g/mol
LogP3.32
Rot. Bonds2

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

2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 3871588) has the molecular formula C9H7Cl2F3N2O and a molecular weight of 287.07 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID3871588
Molecular FormulaC9H7Cl2F3N2O
Molecular Weight287.07 g/mol
Exact Mass285.99
IUPAC Name2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(Cl)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7Cl2F3N2O/c1-4(10)8(17)16-7-6(11)2-5(3-15-7)9(12,13)14/h2-4H,1H3,(H,15,16,17)
InChIKeySYJOJINJYYDHFL-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-5-(trifluoromethyl)-2-pyridinamine
CID 607248
2-Acetamido-5-chloropyridine
CID 798653
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
1-(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 1473895
5-acetyl-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 4309245
2-chloro-N-(5-chloropyridin-2-yl)acetamide
CID 5151148
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
N-(5-chloropyridin-2-yl)-2-ethylhexanamide
CID 645923
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-pyrrole-2,5-dione
CID 1486292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 3871588) is 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(Cl)C(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is SYJOJINJYYDHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O/c1-4(10)8(17)16-7-6(11)2-5(3-15-7)9(12,13)14/h2-4H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 287.07 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 3871588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).