2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

C10H9ClF4N2O2 — CID 113347307

IUPAC2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1cc(F)cnc1Cl
InChIInChI=1S/C10H9ClF4N2O2/c11-8-7(3-6(12)4-17-8)9(18)16-1-2-19-5-10(13,14)15/h3-4H,1-2,5H2,(H,16,18)
InChIKeyWPVLGKVLXCUZIG-UHFFFAOYSA-N
MW300.64 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 113347307) has the molecular formula C10H9ClF4N2O2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
PubChem CID113347307
Molecular FormulaC10H9ClF4N2O2
Molecular Weight300.64 g/mol
Exact Mass300.03
IUPAC Name2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1cc(F)cnc1Cl
InChIInChI=1S/C10H9ClF4N2O2/c11-8-7(3-6(12)4-17-8)9(18)16-1-2-19-5-10(13,14)15/h3-4H,1-2,5H2,(H,16,18)
InChIKeyWPVLGKVLXCUZIG-UHFFFAOYSA-N
XLogP2.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114183453
2-chloro-5-fluoro-N-(3-propan-2-yloxypropyl)pyridine-3-carboxamide
CID 114034196
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 136571114
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420
5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 63832210
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (CID 113347307) is 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is O=C(NCCOCC(F)(F)F)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is WPVLGKVLXCUZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O2/c11-8-7(3-6(12)4-17-8)9(18)16-1-2-19-5-10(13,14)15/h3-4H,1-2,5H2,(H,16,18).
What are the key properties of 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 300.64 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113347307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).