4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C15H16BrFN2O2 — CID 103275885

IUPAC4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cc(F)c(Br)cc1NCc1c(CO)cnc(C)c1O
InChIInChI=1S/C15H16BrFN2O2/c1-8-3-13(17)12(16)4-14(8)19-6-11-10(7-20)5-18-9(2)15(11)21/h3-5,19-21H,6-7H2,1-2H3
InChIKeyFJQKUHQTOQVGPD-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.41
Rot. Bonds4

About 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 103275885) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID103275885
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cc(F)c(Br)cc1NCc1c(CO)cnc(C)c1O
InChIInChI=1S/C15H16BrFN2O2/c1-8-3-13(17)12(16)4-14(8)19-6-11-10(7-20)5-18-9(2)15(11)21/h3-5,19-21H,6-7H2,1-2H3
InChIKeyFJQKUHQTOQVGPD-UHFFFAOYSA-N
XLogP3.41
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 103275885) is 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1cc(F)c(Br)cc1NCc1c(CO)cnc(C)c1O.
What is the InChIKey of 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is FJQKUHQTOQVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-8-3-13(17)12(16)4-14(8)19-6-11-10(7-20)5-18-9(2)15(11)21/h3-5,19-21H,6-7H2,1-2H3.
What are the key properties of 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 355.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 103275885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).