methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate

C15H14FNO3 — CID 175928572

IUPACmethyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate
SMILESCOC(=O)C(c1ccc(OC)c(F)c1)c1ccccn1
InChIInChI=1S/C15H14FNO3/c1-19-13-7-6-10(9-11(13)16)14(15(18)20-2)12-5-3-4-8-17-12/h3-9,14H,1-2H3
InChIKeyXQMDXZQQASZTFA-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate

methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate (PubChem CID 175928572) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate
PubChem CID175928572
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate
SMILESCOC(=O)C(c1ccc(OC)c(F)c1)c1ccccn1
InChIInChI=1S/C15H14FNO3/c1-19-13-7-6-10(9-11(13)16)14(15(18)20-2)12-5-3-4-8-17-12/h3-9,14H,1-2H3
InChIKeyXQMDXZQQASZTFA-UHFFFAOYSA-N
XLogP2.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethanol
CID 94605505
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
(3-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanol
CID 62795072
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438
N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373578
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373688
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
1-(2-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 66848705
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate?
The IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate (CID 175928572) is methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate.
What is the SMILES notation for methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate?
The canonical SMILES for methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate is COC(=O)C(c1ccc(OC)c(F)c1)c1ccccn1.
What is the InChIKey of methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate?
The InChIKey is XQMDXZQQASZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-13-7-6-10(9-11(13)16)14(15(18)20-2)12-5-3-4-8-17-12/h3-9,14H,1-2H3.
What are the key properties of methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate?
methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate has a molecular weight of 275.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-methoxyphenyl)-2-pyridin-2-ylacetate is sourced from PubChem (CID 175928572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).