ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate

C16H16F3N3O2 — CID 23000617

IUPACethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccnc(NCC(F)(F)c2ccccn2)c1F
InChIInChI=1S/C16H16F3N3O2/c1-2-24-13(23)9-11-6-8-21-15(14(11)17)22-10-16(18,19)12-5-3-4-7-20-12/h3-8H,2,9-10H2,1H3,(H,21,22)
InChIKeyOLKVRYXHVITPSD-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.93
Rot. Bonds7

About ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate

ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate (PubChem CID 23000617) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate
PubChem CID23000617
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Nameethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccnc(NCC(F)(F)c2ccccn2)c1F
InChIInChI=1S/C16H16F3N3O2/c1-2-24-13(23)9-11-6-8-21-15(14(11)17)22-10-16(18,19)12-5-3-4-7-20-12/h3-8H,2,9-10H2,1H3,(H,21,22)
InChIKeyOLKVRYXHVITPSD-UHFFFAOYSA-N
XLogP2.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate with MolForge

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Related Compounds

ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
CID 83853858
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-1H-pyrazin-2-one
CID 70079860
3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-5-ethyl-6-methyl-1H-pyrazin-2-one
CID 70082419
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 174765561
ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
2-(1,1-difluoropropyl)pyridine
CID 59088790
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate (CID 23000617) is ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate is CCOC(=O)Cc1ccnc(NCC(F)(F)c2ccccn2)c1F.
What is the InChIKey of ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate?
The InChIKey is OLKVRYXHVITPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-2-24-13(23)9-11-6-8-21-15(14(11)17)22-10-16(18,19)12-5-3-4-7-20-12/h3-8H,2,9-10H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate?
ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate has a molecular weight of 339.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-3-fluoro-4-pyridinyl]acetate is sourced from PubChem (CID 23000617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).