ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate

C18H14ClNO3 — CID 86634720

IUPACethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1Oc1cccc2ccccc12
InChIInChI=1S/C18H14ClNO3/c1-2-22-18(21)14-11-20-17(19)10-16(14)23-15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,2H2,1H3
InChIKeyQHHXWDUWCUCEIX-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.86
Rot. Bonds4

About ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate

ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate (PubChem CID 86634720) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate
PubChem CID86634720
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Nameethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(Cl)cc1Oc1cccc2ccccc12
InChIInChI=1S/C18H14ClNO3/c1-2-22-18(21)14-11-20-17(19)10-16(14)23-15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,2H2,1H3
InChIKeyQHHXWDUWCUCEIX-UHFFFAOYSA-N
XLogP4.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.86
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

6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
ethyl 6-chloro-4-nitropyridine-3-carboxylate
CID 133097776
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate (CID 86634720) is ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate is CCOC(=O)c1cnc(Cl)cc1Oc1cccc2ccccc12.
What is the InChIKey of ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate?
The InChIKey is QHHXWDUWCUCEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-2-22-18(21)14-11-20-17(19)10-16(14)23-15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,2H2,1H3.
What are the key properties of ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate?
ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate is sourced from PubChem (CID 86634720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).