CID 141403656

C12H17ClN2O3Sn2 — CID 141403656

IUPAC—
SMILESCOC(=O)c1nc([Sn])cc(NC(C)=O)c1Cl.C[Sn](C)C
InChIInChI=1S/C9H8ClN2O3.3CH3.2Sn/c1-5(13)12-6-3-4-11-8(7(6)10)9(14)15-2;;;;;/h3H,1-2H3,(H,11,12,13);3*1H3;;
InChIKeyYKBLSEJWRQXWEL-UHFFFAOYSA-N
MW510.15 g/mol
LogP1.64
Rot. Bonds2

About CID 141403656

CID 141403656 (PubChem CID 141403656) has the molecular formula C12H17ClN2O3Sn2 and a molecular weight of 510.15 g/mol.

Molecular Properties

Compound NameCID 141403656
PubChem CID141403656
Molecular FormulaC12H17ClN2O3Sn2
Molecular Weight510.15 g/mol
Exact Mass511.90
IUPAC Name—
SMILESCOC(=O)c1nc([Sn])cc(NC(C)=O)c1Cl.C[Sn](C)C
InChIInChI=1S/C9H8ClN2O3.3CH3.2Sn/c1-5(13)12-6-3-4-11-8(7(6)10)9(14)15-2;;;;;/h3H,1-2H3,(H,11,12,13);3*1H3;;
InChIKeyYKBLSEJWRQXWEL-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-acetamido-3-chloro-6-methylpyridine-2-carboxylate
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methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylate
CID 68600593
methyl 4-acetamido-6-(1-benzofuran-2-yl)-3-chloropyridine-2-carboxylate
CID 22677410
N-[3,6-dichloro-2-(1-methoxyethenyl)-4-pyridinyl]acetamide
CID 146259289
methyl 4-acetamido-3-chloro-6-[2,4-dichloro-3-(difluoromethyl)phenyl]pyridine-2-carboxylate
CID 68599187
6-(4-acetamido-5-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90416355
methyl 4-acetamido-6-(3-bromo-5-methyl-4H-1,2-oxazol-5-yl)-3-chloropyridine-2-carboxylate
CID 138594937
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
methyl 4-acetamido-3-chloro-6-(4-chloro-3-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 90415466
methyl 4-acetamido-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68810120
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
CID 147920792
CID 147920792

Frequently Asked Questions

What is the IUPAC name of CID 141403656?
The IUPAC name of CID 141403656 (CID 141403656) is not available.
What is the SMILES notation for CID 141403656?
The canonical SMILES for CID 141403656 is COC(=O)c1nc([Sn])cc(NC(C)=O)c1Cl.C[Sn](C)C.
What is the InChIKey of CID 141403656?
The InChIKey is YKBLSEJWRQXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN2O3.3CH3.2Sn/c1-5(13)12-6-3-4-11-8(7(6)10)9(14)15-2;;;;;/h3H,1-2H3,(H,11,12,13);3*1H3;;.
What are the key properties of CID 141403656?
CID 141403656 has a molecular weight of 510.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141403656 is sourced from PubChem (CID 141403656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).