2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol

C13H12BrFN2O — CID 79162906

IUPAC2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc(F)cc2Br)n1
InChIInChI=1S/C13H12BrFN2O/c1-8-2-5-13(18)12(17-8)7-16-11-4-3-9(15)6-10(11)14/h2-6,16,18H,7H2,1H3
InChIKeyTUXRLVPKJOQXLN-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.61
Rot. Bonds3

About 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol

2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79162906) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79162906
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccc(F)cc2Br)n1
InChIInChI=1S/C13H12BrFN2O/c1-8-2-5-13(18)12(17-8)7-16-11-4-3-9(15)6-10(11)14/h2-6,16,18H,7H2,1H3
InChIKeyTUXRLVPKJOQXLN-UHFFFAOYSA-N
XLogP3.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol (CID 79162906) is 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is TUXRLVPKJOQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-2-5-13(18)12(17-8)7-16-11-4-3-9(15)6-10(11)14/h2-6,16,18H,7H2,1H3.
What are the key properties of 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol?
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol has a molecular weight of 311.15 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79162906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).