(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate

C16H17NO3 — CID 75386087

IUPAC(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate
SMILESCOCc1ccccc1C(=O)OCc1ccc(C)nc1
InChIInChI=1S/C16H17NO3/c1-12-7-8-13(9-17-12)10-20-16(18)15-6-4-3-5-14(15)11-19-2/h3-9H,10-11H2,1-2H3
InChIKeyFQBOFJKBLYPYNC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.89
Rot. Bonds5

About (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate

(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate (PubChem CID 75386087) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate
PubChem CID75386087
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate
SMILESCOCc1ccccc1C(=O)OCc1ccc(C)nc1
InChIInChI=1S/C16H17NO3/c1-12-7-8-13(9-17-12)10-20-16(18)15-6-4-3-5-14(15)11-19-2/h3-9H,10-11H2,1-2H3
InChIKeyFQBOFJKBLYPYNC-UHFFFAOYSA-N
XLogP2.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(methoxymethyl)benzoate
CID 78862382
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate
CID 174469020
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[4-[(5-methylpyrazine-2-carbonyl)oxymethyl]phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 2458017
(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate
CID 31916473
benzyl 2-[[(1S)-1-methoxypropoxy]methyl]benzoate
CID 135032720
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate?
The IUPAC name of (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate (CID 75386087) is (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate.
What is the SMILES notation for (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate?
The canonical SMILES for (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate is COCc1ccccc1C(=O)OCc1ccc(C)nc1.
What is the InChIKey of (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate?
The InChIKey is FQBOFJKBLYPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12-7-8-13(9-17-12)10-20-16(18)15-6-4-3-5-14(15)11-19-2/h3-9H,10-11H2,1-2H3.
What are the key properties of (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate?
(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate has a molecular weight of 271.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate is sourced from PubChem (CID 75386087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).