methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate

C10H6ClIN2O2S — CID 171095803

IUPACmethyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ncccc2Cl)c1I
InChIInChI=1S/C10H6ClIN2O2S/c1-16-10(15)9-6(12)8(14-17-9)7-5(11)3-2-4-13-7/h2-4H,1H3
InChIKeySJAQEEBPNSUAGT-UHFFFAOYSA-N
MW380.59 g/mol
LogP3.25
Rot. Bonds2

About methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate

methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate (PubChem CID 171095803) has the molecular formula C10H6ClIN2O2S and a molecular weight of 380.59 g/mol. Its IUPAC name is methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate
PubChem CID171095803
Molecular FormulaC10H6ClIN2O2S
Molecular Weight380.59 g/mol
Exact Mass379.89
IUPAC Namemethyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ncccc2Cl)c1I
InChIInChI=1S/C10H6ClIN2O2S/c1-16-10(15)9-6(12)8(14-17-9)7-5(11)3-2-4-13-7/h2-4H,1H3
InChIKeySJAQEEBPNSUAGT-UHFFFAOYSA-N
XLogP3.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate
CID 171096034
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-thiazole-4-carboxylate
CID 141390036
methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
CID 58553621
4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
CID 103443010
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate
CID 141390009
methyl 2-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]acetate
CID 103442928
methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
CID 123997957
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
2-(3-chloro-2-pyridinyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103445159

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate (CID 171095803) is methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate is COC(=O)c1snc(-c2ncccc2Cl)c1I.
What is the InChIKey of methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate?
The InChIKey is SJAQEEBPNSUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIN2O2S/c1-16-10(15)9-6(12)8(14-17-9)7-5(11)3-2-4-13-7/h2-4H,1H3.
What are the key properties of methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate?
methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate has a molecular weight of 380.59 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloro-2-pyridinyl)-4-iodo-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 171095803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).