[3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone

C19H12F4N2O2 — CID 24744182

IUPAC[3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone
SMILESCOc1cc(F)c(-c2nccc(C(=O)c3ccc(F)cc3F)c2N)c(F)c1
InChIInChI=1S/C19H12F4N2O2/c1-27-10-7-14(22)16(15(23)8-10)18-17(24)12(4-5-25-18)19(26)11-3-2-9(20)6-13(11)21/h2-8H,24H2,1H3
InChIKeyPRQLJNANKJVRIO-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.13
Rot. Bonds4

About [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone

[3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone (PubChem CID 24744182) has the molecular formula C19H12F4N2O2 and a molecular weight of 376.31 g/mol. Its IUPAC name is [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone
PubChem CID24744182
Molecular FormulaC19H12F4N2O2
Molecular Weight376.31 g/mol
Exact Mass376.08
IUPAC Name[3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone
SMILESCOc1cc(F)c(-c2nccc(C(=O)c3ccc(F)cc3F)c2N)c(F)c1
InChIInChI=1S/C19H12F4N2O2/c1-27-10-7-14(22)16(15(23)8-10)18-17(24)12(4-5-25-18)19(26)11-3-2-9(20)6-13(11)21/h2-8H,24H2,1H3
InChIKeyPRQLJNANKJVRIO-UHFFFAOYSA-N
XLogP4.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone (CID 24744182) is [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone is COc1cc(F)c(-c2nccc(C(=O)c3ccc(F)cc3F)c2N)c(F)c1.
What is the InChIKey of [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone?
The InChIKey is PRQLJNANKJVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O2/c1-27-10-7-14(22)16(15(23)8-10)18-17(24)12(4-5-25-18)19(26)11-3-2-9(20)6-13(11)21/h2-8H,24H2,1H3.
What are the key properties of [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone?
[3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone has a molecular weight of 376.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-(2,6-difluoro-4-methoxyphenyl)-4-pyridinyl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 24744182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).