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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105465547
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
1-(2-amino-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105446020
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-(diethylamino)-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247678
methyl 2-[ethyl(propan-2-yl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247746
methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine-4-carboxylate
CID 131545177
methyl 2-chloro-6-[4-(1,3-dihydro-2-benzofuran-5-yloxy)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 135154002
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 2-[cyclopropylmethyl(methyl)amino]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247691
2-chloro-6,6-dimethyl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 171396988
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849

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).