CID 146840166

C11H5AlF3NO3 — CID 146840166

IUPAC—
SMILESO=C(O)c1cc(=O)c2cc([Al])cc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C11H5F3NO3.Al/c12-11(13,14)6-3-1-2-5-8(16)4-7(10(17)18)15-9(5)6;/h2-4H,(H,15,16)(H,17,18);
InChIKeyMIPLUNAVDUAERE-UHFFFAOYSA-N
MW283.14 g/mol
LogP1.04
Rot. Bonds1

About CID 146840166

CID 146840166 (PubChem CID 146840166) has the molecular formula C11H5AlF3NO3 and a molecular weight of 283.14 g/mol.

Molecular Properties

Compound NameCID 146840166
PubChem CID146840166
Molecular FormulaC11H5AlF3NO3
Molecular Weight283.14 g/mol
Exact Mass283.00
IUPAC Name—
SMILESO=C(O)c1cc(=O)c2cc([Al])cc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C11H5F3NO3.Al/c12-11(13,14)6-3-1-2-5-8(16)4-7(10(17)18)15-9(5)6;/h2-4H,(H,15,16)(H,17,18);
InChIKeyMIPLUNAVDUAERE-UHFFFAOYSA-N
XLogP1.04
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
4-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 135004712
5-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457754
5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 82386002
7-bromo-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457533
8-chloro-6-iodo-4-oxo-1H-quinoline-2-carboxylic acid
CID 107608030
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
4-oxo-8-phenyl-1H-quinoline-2-carboxylic acid
CID 63376604
7-chloro-8-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 63376863
8-benzoyl-6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 90673417
5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid
CID 15182902
6-methoxy-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 22508913

Frequently Asked Questions

What is the IUPAC name of CID 146840166?
The IUPAC name of CID 146840166 (CID 146840166) is not available.
What is the SMILES notation for CID 146840166?
The canonical SMILES for CID 146840166 is O=C(O)c1cc(=O)c2cc([Al])cc(C(F)(F)F)c2[nH]1.
What is the InChIKey of CID 146840166?
The InChIKey is MIPLUNAVDUAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3NO3.Al/c12-11(13,14)6-3-1-2-5-8(16)4-7(10(17)18)15-9(5)6;/h2-4H,(H,15,16)(H,17,18);.
What are the key properties of CID 146840166?
CID 146840166 has a molecular weight of 283.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146840166 is sourced from PubChem (CID 146840166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).