methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate

C15H14FNO3 — CID 155342094

IUPACmethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cc(OC)ncc2F)cc1C
InChIInChI=1S/C15H14FNO3/c1-9-6-10(4-5-11(9)15(18)20-3)12-7-14(19-2)17-8-13(12)16/h4-8H,1-3H3
InChIKeyTUMGDMKKXTYDFZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.99
Rot. Bonds3

About methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate

methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate (PubChem CID 155342094) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
PubChem CID155342094
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2cc(OC)ncc2F)cc1C
InChIInChI=1S/C15H14FNO3/c1-9-6-10(4-5-11(9)15(18)20-3)12-7-14(19-2)17-8-13(12)16/h4-8H,1-3H3
InChIKeyTUMGDMKKXTYDFZ-UHFFFAOYSA-N
XLogP2.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
CID 18617593
4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide
CID 118864044
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 4-(5-bromopyrazin-2-yl)-2-methylbenzoate
CID 135375330
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
N-ethyl-2-[6-(5-fluoro-2-methoxy-4-pyridinyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 172673341
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 4-(2-amino-4-bromo-3-pyridinyl)-2-methylbenzoate
CID 172823678
4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
CID 126625290
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate?
The IUPAC name of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate (CID 155342094) is methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate?
The canonical SMILES for methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate is COC(=O)c1ccc(-c2cc(OC)ncc2F)cc1C.
What is the InChIKey of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate?
The InChIKey is TUMGDMKKXTYDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-6-10(4-5-11(9)15(18)20-3)12-7-14(19-2)17-8-13(12)16/h4-8H,1-3H3.
What are the key properties of methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate?
methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate has a molecular weight of 275.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate is sourced from PubChem (CID 155342094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).