2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide

C10H12ClF2N3O2 — CID 103099339

IUPAC2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCOCC(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF2N3O2/c11-7-3-6(4-9(14)16-7)10(17)15-1-2-18-5-8(12)13/h3-4,8H,1-2,5H2,(H2,14,16)(H,15,17)
InChIKeyZGSFIPSXDFJEJH-UHFFFAOYSA-N
MW279.67 g/mol
LogP1.33
Rot. Bonds6

About 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide (PubChem CID 103099339) has the molecular formula C10H12ClF2N3O2 and a molecular weight of 279.67 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
PubChem CID103099339
Molecular FormulaC10H12ClF2N3O2
Molecular Weight279.67 g/mol
Exact Mass279.06
IUPAC Name2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCOCC(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF2N3O2/c11-7-3-6(4-9(14)16-7)10(17)15-1-2-18-5-8(12)13/h3-4,8H,1-2,5H2,(H2,14,16)(H,15,17)
InChIKeyZGSFIPSXDFJEJH-UHFFFAOYSA-N
XLogP1.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
2-amino-6-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 62152506
6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide
CID 114129297
2-amino-6-chloro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115631265
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]pyridine-4-carboxamide
CID 115605591
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide (CID 103099339) is 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCOCC(F)F)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide?
The InChIKey is ZGSFIPSXDFJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O2/c11-7-3-6(4-9(14)16-7)10(17)15-1-2-18-5-8(12)13/h3-4,8H,1-2,5H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide has a molecular weight of 279.67 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103099339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).