CID 89134151

C21H14BF4NO2 — CID 89134151

IUPAC—
SMILES[B]c1c(OCc2ccc(F)cc2F)cc(C)n(-c2c(F)cc(C=C)cc2F)c1=O
InChIInChI=1S/C21H14BF4NO2/c1-3-12-7-16(25)20(17(26)8-12)27-11(2)6-18(19(22)21(27)28)29-10-13-4-5-14(23)9-15(13)24/h3-9H,1,10H2,2H3
InChIKeySXKQCAHFQZSIJN-UHFFFAOYSA-N
MW399.15 g/mol
LogP3.72
Rot. Bonds5

About CID 89134151

CID 89134151 (PubChem CID 89134151) has the molecular formula C21H14BF4NO2 and a molecular weight of 399.15 g/mol.

Molecular Properties

Compound NameCID 89134151
PubChem CID89134151
Molecular FormulaC21H14BF4NO2
Molecular Weight399.15 g/mol
Exact Mass399.11
IUPAC Name—
SMILES[B]c1c(OCc2ccc(F)cc2F)cc(C)n(-c2c(F)cc(C=C)cc2F)c1=O
InChIInChI=1S/C21H14BF4NO2/c1-3-12-7-16(25)20(17(26)8-12)27-11(2)6-18(19(22)21(27)28)29-10-13-4-5-14(23)9-15(13)24/h3-9H,1,10H2,2H3
InChIKeySXKQCAHFQZSIJN-UHFFFAOYSA-N
XLogP3.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 89134455
CID 89134455
CID 163740484
CID 163740484
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
1-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2,6-difluorophenyl]-5-ethenyl-6-methylpyridin-2-one
CID 138524348
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(6-methyl-2-pyridinyl)pyridin-2-one
CID 141203406
1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 22051017
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167
2-[2-[[3-bromo-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenoxy]acetate
CID 22050914

Frequently Asked Questions

What is the IUPAC name of CID 89134151?
The IUPAC name of CID 89134151 (CID 89134151) is not available.
What is the SMILES notation for CID 89134151?
The canonical SMILES for CID 89134151 is [B]c1c(OCc2ccc(F)cc2F)cc(C)n(-c2c(F)cc(C=C)cc2F)c1=O.
What is the InChIKey of CID 89134151?
The InChIKey is SXKQCAHFQZSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BF4NO2/c1-3-12-7-16(25)20(17(26)8-12)27-11(2)6-18(19(22)21(27)28)29-10-13-4-5-14(23)9-15(13)24/h3-9H,1,10H2,2H3.
What are the key properties of CID 89134151?
CID 89134151 has a molecular weight of 399.15 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89134151 is sourced from PubChem (CID 89134151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).