CID 159665167

C11H9BF2NO4 — CID 159665167

IUPAC—
SMILESCOn1cc(C(=O)O)c(=O)c2ccccc21.F[B]F
InChIInChI=1S/C11H9NO4.BF2/c1-16-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12;2-1-3/h2-6H,1H3,(H,14,15);
InChIKeyMTHUUDXMNILNPK-UHFFFAOYSA-N
MW268.00 g/mol
LogP1.22
Rot. Bonds2

About CID 159665167

CID 159665167 (PubChem CID 159665167) has the molecular formula C11H9BF2NO4 and a molecular weight of 268.00 g/mol.

Molecular Properties

Compound NameCID 159665167
PubChem CID159665167
Molecular FormulaC11H9BF2NO4
Molecular Weight268.00 g/mol
Exact Mass268.06
IUPAC Name—
SMILESCOn1cc(C(=O)O)c(=O)c2ccccc21.F[B]F
InChIInChI=1S/C11H9NO4.BF2/c1-16-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12;2-1-3/h2-6H,1H3,(H,14,15);
InChIKeyMTHUUDXMNILNPK-UHFFFAOYSA-N
XLogP1.22
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.00
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 91240711
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
CID 11128197
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
(E)-1,3-bis(1-methoxyindol-3-yl)prop-2-en-1-one
CID 155387918
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 175895920
1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532548
1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174692298

Frequently Asked Questions

What is the IUPAC name of CID 159665167?
The IUPAC name of CID 159665167 (CID 159665167) is not available.
What is the SMILES notation for CID 159665167?
The canonical SMILES for CID 159665167 is COn1cc(C(=O)O)c(=O)c2ccccc21.F[B]F.
What is the InChIKey of CID 159665167?
The InChIKey is MTHUUDXMNILNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4.BF2/c1-16-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12;2-1-3/h2-6H,1H3,(H,14,15);.
What are the key properties of CID 159665167?
CID 159665167 has a molecular weight of 268.00 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159665167 is sourced from PubChem (CID 159665167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).