methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate

C15H15FN2O2 — CID 81312860

IUPACmethyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1ccc(C)cn1
InChIInChI=1S/C15H15FN2O2/c1-10-3-5-12(17-8-10)9-18-14-6-4-11(16)7-13(14)15(19)20-2/h3-8,18H,9H2,1-2H3
InChIKeyLXCQYTYQYQPYAI-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.93
Rot. Bonds4

About methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate

methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate (PubChem CID 81312860) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
PubChem CID81312860
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1ccc(C)cn1
InChIInChI=1S/C15H15FN2O2/c1-10-3-5-12(17-8-10)9-18-14-6-4-11(16)7-13(14)15(19)20-2/h3-8,18H,9H2,1-2H3
InChIKeyLXCQYTYQYQPYAI-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
methyl 5-methyl-2-(pyridin-2-ylmethylamino)benzoate
CID 43679207
methyl 5-methyl-2-(pyrimidin-4-ylmethylamino)benzoate
CID 62760608
methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107528321
methyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62747332
methyl 5-fluoro-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzoate
CID 64580738
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate?
The IUPAC name of methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate (CID 81312860) is methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate is COC(=O)c1cc(F)ccc1NCc1ccc(C)cn1.
What is the InChIKey of methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate?
The InChIKey is LXCQYTYQYQPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-3-5-12(17-8-10)9-18-14-6-4-11(16)7-13(14)15(19)20-2/h3-8,18H,9H2,1-2H3.
What are the key properties of methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate?
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate has a molecular weight of 274.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate is sourced from PubChem (CID 81312860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).