ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate

C13H14ClNO3 — CID 142612586

IUPACethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2ccc(Cl)nc2)OC1
InChIInChI=1S/C13H14ClNO3/c1-2-17-13(16)10-3-5-11(18-8-10)9-4-6-12(14)15-7-9/h3-4,6-7,11H,2,5,8H2,1H3
InChIKeyBECRTYDCNFPNQC-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate

ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate (PubChem CID 142612586) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate
PubChem CID142612586
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nameethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2ccc(Cl)nc2)OC1
InChIInChI=1S/C13H14ClNO3/c1-2-17-13(16)10-3-5-11(18-8-10)9-4-6-12(14)15-7-9/h3-4,6-7,11H,2,5,8H2,1H3
InChIKeyBECRTYDCNFPNQC-UHFFFAOYSA-N
XLogP2.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.69
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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Related Compounds

lithium 5-ethoxycarbonyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 137372196
2-O-benzyl 5-O-ethyl 3,6-dihydro-2H-pyran-2,5-dicarboxylate
CID 137393806
ethyl 2-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-3,6-dihydro-2H-pyran-5-carboxylate
CID 176914505
ethyl 4-(oxiran-2-yl)benzoate
CID 22123819
diethyl 2-(6-chloropyridine-3-carbonyl)propanedioate
CID 165343935
ethyl (1S,2R,3R,4R)-7-benzyl-3-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 10690569
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
CID 73015655
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate
CID 19082033

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate (CID 142612586) is ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=CCC(c2ccc(Cl)nc2)OC1.
What is the InChIKey of ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate?
The InChIKey is BECRTYDCNFPNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-2-17-13(16)10-3-5-11(18-8-10)9-4-6-12(14)15-7-9/h3-4,6-7,11H,2,5,8H2,1H3.
What are the key properties of ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate?
ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate has a molecular weight of 267.71 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-3-pyridinyl)-3,6-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 142612586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).