4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide

C12H18FN2O2P — CID 174275878

IUPAC4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide
SMILESCCOP1(=O)CCN(c2ncc(C)cc2F)CC1
InChIInChI=1S/C12H18FN2O2P/c1-3-17-18(16)6-4-15(5-7-18)12-11(13)8-10(2)9-14-12/h8-9H,3-7H2,1-2H3
InChIKeyNZLWUPTVNKVLLL-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.66
Rot. Bonds3

About 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide

4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide (PubChem CID 174275878) has the molecular formula C12H18FN2O2P and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide.

Molecular Properties

Compound Name4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide
PubChem CID174275878
Molecular FormulaC12H18FN2O2P
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide
SMILESCCOP1(=O)CCN(c2ncc(C)cc2F)CC1
InChIInChI=1S/C12H18FN2O2P/c1-3-17-18(16)6-4-15(5-7-18)12-11(13)8-10(2)9-14-12/h8-9H,3-7H2,1-2H3
InChIKeyNZLWUPTVNKVLLL-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 258624
CID 258624
CID 4221532
CID 4221532
CID 3851538
CID 3851538
CID 4415900
CID 4415900
CID 13323576
CID 13323576
CID 57623326
CID 57623326
CID 101860207
CID 101860207
CID 101860208
CID 101860208
CID 11478514
CID 11478514
CID 57960163
CID 57960163
CID 57960522
CID 57960522
CID 57960554
CID 57960554

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide?
The IUPAC name of 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide (CID 174275878) is 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide.
What is the SMILES notation for 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide?
The canonical SMILES for 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide is CCOP1(=O)CCN(c2ncc(C)cc2F)CC1.
What is the InChIKey of 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide?
The InChIKey is NZLWUPTVNKVLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN2O2P/c1-3-17-18(16)6-4-15(5-7-18)12-11(13)8-10(2)9-14-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide?
4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide has a molecular weight of 272.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-fluoro-5-methyl-2-pyridinyl)-1,4λ5-azaphosphinane 4-oxide is sourced from PubChem (CID 174275878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).