CID 11028273

C30H27N2O3Sn — CID 11028273

IUPAC—
SMILESCc1nn(C)c(Oc2ccccc2)c1C(=O)O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C12H12N2O3.3C6H5.Sn/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9;3*1-2-4-6-5-3-1;/h3-7H,1-2H3,(H,15,16);3*1-5H;
InChIKeyULYROYQKXBFUNL-UHFFFAOYSA-N
MW582.27 g/mol
LogP4.42
Rot. Bonds6

About CID 11028273

CID 11028273 (PubChem CID 11028273) has the molecular formula C30H27N2O3Sn and a molecular weight of 582.27 g/mol.

Molecular Properties

Compound NameCID 11028273
PubChem CID11028273
Molecular FormulaC30H27N2O3Sn
Molecular Weight582.27 g/mol
Exact Mass583.10
IUPAC Name—
SMILESCc1nn(C)c(Oc2ccccc2)c1C(=O)O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C12H12N2O3.3C6H5.Sn/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9;3*1-2-4-6-5-3-1;/h3-7H,1-2H3,(H,15,16);3*1-5H;
InChIKeyULYROYQKXBFUNL-UHFFFAOYSA-N
XLogP4.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.27
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde
CID 7062179
Fenpyroximate M-8
CID 10876220
5-(4-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 2766855
5-(3-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 2768675
1,3-Dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid
CID 2774290
1-Methyl-5-(phenoxymethyl)-3-phenylmethoxypyrazole-4-carboxylic acid
CID 155550265
3-(Cyclopropylmethoxy)-1-methyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid
CID 155550546
3-Ethoxy-1-methyl-5-(phenoxymethyl)pyrazole-4-carboxylic acid
CID 155552909
5-(3-Chlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 2773825
1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid
CID 2775696
5-(4-Fluorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952524
5-(3-Fluorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952550

Frequently Asked Questions

What is the IUPAC name of CID 11028273?
The IUPAC name of CID 11028273 (CID 11028273) is not available.
What is the SMILES notation for CID 11028273?
The canonical SMILES for CID 11028273 is Cc1nn(C)c(Oc2ccccc2)c1C(=O)O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 11028273?
The InChIKey is ULYROYQKXBFUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.3C6H5.Sn/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9;3*1-2-4-6-5-3-1;/h3-7H,1-2H3,(H,15,16);3*1-5H;.
What are the key properties of CID 11028273?
CID 11028273 has a molecular weight of 582.27 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11028273 is sourced from PubChem (CID 11028273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).