methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate

C10H10ClNO3 — CID 131536994

IUPACmethyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1Cl)CCOC2
InChIInChI=1S/C10H10ClNO3/c1-14-10(13)7-4-6-5-15-3-2-8(6)12-9(7)11/h4H,2-3,5H2,1H3
InChIKeyKBGNFOAGDLVOPP-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.59
Rot. Bonds1

About methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate

methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate (PubChem CID 131536994) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
PubChem CID131536994
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(nc1Cl)CCOC2
InChIInChI=1S/C10H10ClNO3/c1-14-10(13)7-4-6-5-15-3-2-8(6)12-9(7)11/h4H,2-3,5H2,1H3
InChIKeyKBGNFOAGDLVOPP-UHFFFAOYSA-N
XLogP1.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate (CID 131536994) is methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate is COC(=O)c1cc2c(nc1Cl)CCOC2.
What is the InChIKey of methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate?
The InChIKey is KBGNFOAGDLVOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-14-10(13)7-4-6-5-15-3-2-8(6)12-9(7)11/h4H,2-3,5H2,1H3.
What are the key properties of methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate?
methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate has a molecular weight of 227.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 131536994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).