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

C10H9ClF4N2O2 — CID 136571114

IUPAC4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1c(Cl)ccnc1F
InChIInChI=1S/C10H9ClF4N2O2/c11-6-1-2-16-8(12)7(6)9(18)17-3-4-19-5-10(13,14)15/h1-2H,3-5H2,(H,17,18)
InChIKeyZBGGRDCRSSZPJS-UHFFFAOYSA-N
MW300.64 g/mol
LogP2.18
Rot. Bonds5

About 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 136571114) has the molecular formula C10H9ClF4N2O2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
PubChem CID136571114
Molecular FormulaC10H9ClF4N2O2
Molecular Weight300.64 g/mol
Exact Mass300.03
IUPAC Name4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)c1c(Cl)ccnc1F
InChIInChI=1S/C10H9ClF4N2O2/c11-6-1-2-16-8(12)7(6)9(18)17-3-4-19-5-10(13,14)15/h1-2H,3-5H2,(H,17,18)
InChIKeyZBGGRDCRSSZPJS-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

2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
5-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 104642797
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
2-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 63834851

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (CID 136571114) is 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is O=C(NCCOCC(F)(F)F)c1c(Cl)ccnc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is ZBGGRDCRSSZPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O2/c11-6-1-2-16-8(12)7(6)9(18)17-3-4-19-5-10(13,14)15/h1-2H,3-5H2,(H,17,18).
What are the key properties of 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
4-chloro-2-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 4-chloro-2-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 136571114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).