1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride

C14H12ClN3O3 — CID 149371526

IUPAC1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride
SMILESN#Cc1cc2c(nc1N1CCC(C(=O)Cl)CC1)COC2=O
InChIInChI=1S/C14H12ClN3O3/c15-12(19)8-1-3-18(4-2-8)13-9(6-16)5-10-11(17-13)7-21-14(10)20/h5,8H,1-4,7H2
InChIKeyYJXCMOKTPXQUTE-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride

1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride (PubChem CID 149371526) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride
PubChem CID149371526
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride
SMILESN#Cc1cc2c(nc1N1CCC(C(=O)Cl)CC1)COC2=O
InChIInChI=1S/C14H12ClN3O3/c15-12(19)8-1-3-18(4-2-8)13-9(6-16)5-10-11(17-13)7-21-14(10)20/h5,8H,1-4,7H2
InChIKeyYJXCMOKTPXQUTE-UHFFFAOYSA-N
XLogP1.61
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride (CID 149371526) is 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride is N#Cc1cc2c(nc1N1CCC(C(=O)Cl)CC1)COC2=O.
What is the InChIKey of 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride?
The InChIKey is YJXCMOKTPXQUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-12(19)8-1-3-18(4-2-8)13-9(6-16)5-10-11(17-13)7-21-14(10)20/h5,8H,1-4,7H2.
What are the key properties of 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride?
1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride has a molecular weight of 305.72 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-5-oxo-7H-furo[3,4-b]pyridin-2-yl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 149371526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).