methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate

C15H15FN2O4 — CID 58360341

IUPACmethyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CNc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H15FN2O4/c1-22-15(21)13-14(20)12(8-19)9(7-18-13)6-17-11-4-2-10(16)3-5-11/h2-5,7,17,19-20H,6,8H2,1H3
InChIKeyNUKZPZYSWJYOAO-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.82
Rot. Bonds5

About methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate

methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate (PubChem CID 58360341) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate
PubChem CID58360341
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Namemethyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CNc2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C15H15FN2O4/c1-22-15(21)13-14(20)12(8-19)9(7-18-13)6-17-11-4-2-10(16)3-5-11/h2-5,7,17,19-20H,6,8H2,1H3
InChIKeyNUKZPZYSWJYOAO-UHFFFAOYSA-N
XLogP1.82
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4-fluoroanilino)methyl]-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
CID 58360284
1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
CID 58360304
methyl 3-bromo-4-[(4-fluoroanilino)methyl]benzoate
CID 102766440
methyl 4-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312807
methyl 2-acetyloxy-4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzoate
CID 18784874
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
methyl 3-[(4-fluoroanilino)methyl]benzoate
CID 86720703
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
5-[(E)-2-(4-fluorophenyl)ethenyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
CID 127041224
methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43715405
2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol
CID 4279006

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate (CID 58360341) is methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate is COC(=O)c1ncc(CNc2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate?
The InChIKey is NUKZPZYSWJYOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-22-15(21)13-14(20)12(8-19)9(7-18-13)6-17-11-4-2-10(16)3-5-11/h2-5,7,17,19-20H,6,8H2,1H3.
What are the key properties of methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate?
methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluoroanilino)methyl]-3-hydroxy-4-(hydroxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 58360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).