N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C9H8ClF3N2O2 — CID 175083875

IUPACN-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)nc1OC(F)C(F)F
InChIInChI=1S/C9H8ClF3N2O2/c1-4(16)14-5-2-3-6(10)15-9(5)17-8(13)7(11)12/h2-3,7-8H,1H3,(H,14,16)
InChIKeyWHBPODCTYMYVMW-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.63
Rot. Bonds4

About N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 175083875) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID175083875
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC NameN-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)nc1OC(F)C(F)F
InChIInChI=1S/C9H8ClF3N2O2/c1-4(16)14-5-2-3-6(10)15-9(5)17-8(13)7(11)12/h2-3,7-8H,1H3,(H,14,16)
InChIKeyWHBPODCTYMYVMW-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)acetamide
CID 118861387
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
(6-chloro-3-iodo-2-pyridinyl) acetate
CID 154051084
2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 175353377
N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide
CID 175560491
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 2427450
2-[(6-chloro-2-methoxy-3-pyridinyl)amino]ethyl acetate
CID 150415416
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
CID 119054405
tert-butyl N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130453693
N-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252903

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 175083875) is N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is CC(=O)Nc1ccc(Cl)nc1OC(F)C(F)F.
What is the InChIKey of N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is WHBPODCTYMYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c1-4(16)14-5-2-3-6(10)15-9(5)17-8(13)7(11)12/h2-3,7-8H,1H3,(H,14,16).
What are the key properties of N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 268.62 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 175083875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).