CID 175289623

C9H11N2Sn — CID 175289623

IUPAC—
SMILESCc1cc([Sn](C)C)ncc1C#N
InChIInChI=1S/C7H5N2.2CH3.Sn/c1-6-2-3-9-5-7(6)4-8;;;/h2,5H,1H3;2*1H3;
InChIKeyLKKLRJLWUOXBMX-UHFFFAOYSA-N
MW265.91 g/mol
LogP1.22
Rot. Bonds1

About CID 175289623

CID 175289623 (PubChem CID 175289623) has the molecular formula C9H11N2Sn and a molecular weight of 265.91 g/mol.

Molecular Properties

Compound NameCID 175289623
PubChem CID175289623
Molecular FormulaC9H11N2Sn
Molecular Weight265.91 g/mol
Exact Mass266.99
IUPAC Name—
SMILESCc1cc([Sn](C)C)ncc1C#N
InChIInChI=1S/C7H5N2.2CH3.Sn/c1-6-2-3-9-5-7(6)4-8;;;/h2,5H,1H3;2*1H3;
InChIKeyLKKLRJLWUOXBMX-UHFFFAOYSA-N
XLogP1.22
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.91
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
5-methylpyridazine-4-carbonitrile
CID 125041957
6-(2,2-dimethylbutyl)-4-methylpyridine-3-carbonitrile
CID 134170715
4-methyl-6-(2-methyl-4H-imidazol-5-yl)pyridine-3-carbonitrile
CID 166906275
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 166906107
5-ethynyl-2,4-dimethylpyridine
CID 58117489
6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 134523949
6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 134523720
6-amino-5-iodo-4-methylpyridine-3-carbonitrile
CID 131521959
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82375874

Frequently Asked Questions

What is the IUPAC name of CID 175289623?
The IUPAC name of CID 175289623 (CID 175289623) is not available.
What is the SMILES notation for CID 175289623?
The canonical SMILES for CID 175289623 is Cc1cc([Sn](C)C)ncc1C#N.
What is the InChIKey of CID 175289623?
The InChIKey is LKKLRJLWUOXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2.2CH3.Sn/c1-6-2-3-9-5-7(6)4-8;;;/h2,5H,1H3;2*1H3;.
What are the key properties of CID 175289623?
CID 175289623 has a molecular weight of 265.91 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175289623 is sourced from PubChem (CID 175289623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).