methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate

C10H8INO2 — CID 146805673

IUPACmethyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)C(I)=CC2
InChIInChI=1S/C10H8INO2/c1-14-10(13)6-4-7-8(11)2-3-9(7)12-5-6/h2,4-5H,3H2,1H3
InChIKeyRYZCLMIWDHPPGG-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.20
Rot. Bonds1

About methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate

methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate (PubChem CID 146805673) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate
PubChem CID146805673
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Namemethyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(c1)C(I)=CC2
InChIInChI=1S/C10H8INO2/c1-14-10(13)6-4-7-8(11)2-3-9(7)12-5-6/h2,4-5H,3H2,1H3
InChIKeyRYZCLMIWDHPPGG-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-cyano-6-iodopyridine-3-carboxylate
CID 164905377
methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate
CID 133059505
methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate
CID 68985089
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
methyl 6-chloro-5-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133087929
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201

Frequently Asked Questions

What is the IUPAC name of methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate (CID 146805673) is methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate is COC(=O)c1cnc2c(c1)C(I)=CC2.
What is the InChIKey of methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate?
The InChIKey is RYZCLMIWDHPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c1-14-10(13)6-4-7-8(11)2-3-9(7)12-5-6/h2,4-5H,3H2,1H3.
What are the key properties of methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate?
methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate has a molecular weight of 301.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-iodo-7H-cyclopenta[b]pyridine-3-carboxylate is sourced from PubChem (CID 146805673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).