(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate

C16H17NO3 — CID 71876372

IUPAC(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate
SMILESCOc1cccc(COC(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C16H17NO3/c1-11-6-4-8-14(12(11)2)16(18)20-10-13-7-5-9-15(17-13)19-3/h4-9H,10H2,1-3H3
InChIKeyXHOPONMPJUCKNS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.06
Rot. Bonds4

About (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate

(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate (PubChem CID 71876372) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate.

Molecular Properties

Compound Name(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate
PubChem CID71876372
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate
SMILESCOc1cccc(COC(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C16H17NO3/c1-11-6-4-8-14(12(11)2)16(18)20-10-13-7-5-9-15(17-13)19-3/h4-9H,10H2,1-3H3
InChIKeyXHOPONMPJUCKNS-UHFFFAOYSA-N
XLogP3.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
CID 63984933
(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
CID 63985128
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
aminomethyl 2,3-dimethylbenzoate
CID 66871801
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
(4-phenylphenyl)methyl 2,3-dimethylbenzoate
CID 7765271
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3-dimethylphenyl)methanone
CID 116585152
(6-methoxy-2-pyridinyl)methanesulfonamide
CID 63984915
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate?
The IUPAC name of (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate (CID 71876372) is (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate.
What is the SMILES notation for (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate?
The canonical SMILES for (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate is COc1cccc(COC(=O)c2cccc(C)c2C)n1.
What is the InChIKey of (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate?
The InChIKey is XHOPONMPJUCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-4-8-14(12(11)2)16(18)20-10-13-7-5-9-15(17-13)19-3/h4-9H,10H2,1-3H3.
What are the key properties of (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate?
(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate has a molecular weight of 271.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate is sourced from PubChem (CID 71876372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).