oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

C13H13ClN2O3 — CID 166334911

IUPACoxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESO=C(OCC1CCCO1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C13H13ClN2O3/c14-12-5-8-4-10(16-11(8)6-15-12)13(17)19-7-9-2-1-3-18-9/h4-6,9,16H,1-3,7H2
InChIKeyJVIOCLMUHVQXNZ-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.55
Rot. Bonds3

About oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 166334911) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID166334911
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Nameoxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESO=C(OCC1CCCO1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C13H13ClN2O3/c14-12-5-8-4-10(16-11(8)6-15-12)13(17)19-7-9-2-1-3-18-9/h4-6,9,16H,1-3,7H2
InChIKeyJVIOCLMUHVQXNZ-UHFFFAOYSA-N
XLogP2.55
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 63841492
oxolan-2-ylmethyl 2-chloropyridine-4-carboxylate
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CID 61279680
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
oxolan-2-ylmethyl 3-aminopyrazine-2-carboxylate
CID 60730655
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61310245
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
ethyl 2-amino-3-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-3-oxopropanoate
CID 87785070
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
oxan-2-ylmethyl 2-chloro-5-nitropyridine-3-carboxylate
CID 103916946

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 166334911) is oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is O=C(OCC1CCCO1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is JVIOCLMUHVQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-12-5-8-4-10(16-11(8)6-15-12)13(17)19-7-9-2-1-3-18-9/h4-6,9,16H,1-3,7H2.
What are the key properties of oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 280.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 166334911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).