2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C14H9Cl2F3N2O2 — CID 52803644

IUPAC2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C14H9Cl2F3N2O2/c15-11-6-5-8(12(16)21-11)13(22)20-9-3-1-2-4-10(9)23-7-14(17,18)19/h1-6H,7H2,(H,20,22)
InChIKeyCVJPHYNZGIJZJQ-UHFFFAOYSA-N
MW365.14 g/mol
LogP4.58
Rot. Bonds4

About 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 52803644) has the molecular formula C14H9Cl2F3N2O2 and a molecular weight of 365.14 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID52803644
Molecular FormulaC14H9Cl2F3N2O2
Molecular Weight365.14 g/mol
Exact Mass364.00
IUPAC Name2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1Cl
InChIInChI=1S/C14H9Cl2F3N2O2/c15-11-6-5-8(12(16)21-11)13(22)20-9-3-1-2-4-10(9)23-7-14(17,18)19/h1-6H,7H2,(H,20,22)
InChIKeyCVJPHYNZGIJZJQ-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 54.58
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

6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
1,3,6-trimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 33373987
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 63103575
4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]-3H-phthalazine-1-carboxamide
CID 33369765
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide
CID 86257016
3-(2-chlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33370497
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
5-thiophen-2-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 55741012
5,7-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 41369796

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 52803644) is 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is CVJPHYNZGIJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O2/c15-11-6-5-8(12(16)21-11)13(22)20-9-3-1-2-4-10(9)23-7-14(17,18)19/h1-6H,7H2,(H,20,22).
What are the key properties of 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 365.14 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52803644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).