ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate

C17H17NO3 — CID 170718105

IUPACethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate
SMILESC=C(C)c1ccc(C(=O)OCC)c(Oc2ccccc2)n1
InChIInChI=1S/C17H17NO3/c1-4-20-17(19)14-10-11-15(12(2)3)18-16(14)21-13-8-6-5-7-9-13/h5-11H,2,4H2,1,3H3
InChIKeyVDYJPWVRWWQYBC-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.08
Rot. Bonds5

About ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate

ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate (PubChem CID 170718105) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate
PubChem CID170718105
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate
SMILESC=C(C)c1ccc(C(=O)OCC)c(Oc2ccccc2)n1
InChIInChI=1S/C17H17NO3/c1-4-20-17(19)14-10-11-15(12(2)3)18-16(14)21-13-8-6-5-7-9-13/h5-11H,2,4H2,1,3H3
InChIKeyVDYJPWVRWWQYBC-UHFFFAOYSA-N
XLogP4.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-phenoxy-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 170718101
ethyl 6-cyclopentyl-5-methyl-2-phenoxypyridine-3-carboxylate
CID 170718319
ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate
CID 170718339
ethyl 2,6-dichloro-5-phenoxypyrimidine-4-carboxylate
CID 19934748
ethyl 2-(3-methylbuta-1,3-dien-2-yl)benzoate
CID 10512902
ethyl 2-(2-methylprop-2-enoyl)benzoate
CID 146010272
ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 55354839
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 2-(4-cyanophenoxy)-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 67605757
diethyl 3,6-dioxo-2,5-diphenoxycyclohexa-1,4-diene-1,4-dicarboxylate
CID 139043399
benzyl 2-ethyl-4-phenoxypyrimidine-5-carboxylate
CID 174195714
diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate (CID 170718105) is ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate is C=C(C)c1ccc(C(=O)OCC)c(Oc2ccccc2)n1.
What is the InChIKey of ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate?
The InChIKey is VDYJPWVRWWQYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-4-20-17(19)14-10-11-15(12(2)3)18-16(14)21-13-8-6-5-7-9-13/h5-11H,2,4H2,1,3H3.
What are the key properties of ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate?
ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 170718105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).