6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol

C14H15BrN2O — CID 71622520

IUPAC6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(Nc2ccc(Br)cc2)c(C)c(C)c1O
InChIInChI=1S/C14H15BrN2O/c1-8-9(2)14(16-10(3)13(8)18)17-12-6-4-11(15)5-7-12/h4-7,18H,1-3H3,(H,16,17)
InChIKeyRFTGBQFWOJEPCW-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.22
Rot. Bonds2

About 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol

6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol (PubChem CID 71622520) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol.

Molecular Properties

Compound Name6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol
PubChem CID71622520
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(Nc2ccc(Br)cc2)c(C)c(C)c1O
InChIInChI=1S/C14H15BrN2O/c1-8-9(2)14(16-10(3)13(8)18)17-12-6-4-11(15)5-7-12/h4-7,18H,1-3H3,(H,16,17)
InChIKeyRFTGBQFWOJEPCW-UHFFFAOYSA-N
XLogP4.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol?
The IUPAC name of 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol (CID 71622520) is 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol.
What is the SMILES notation for 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol?
The canonical SMILES for 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol is Cc1nc(Nc2ccc(Br)cc2)c(C)c(C)c1O.
What is the InChIKey of 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol?
The InChIKey is RFTGBQFWOJEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-8-9(2)14(16-10(3)13(8)18)17-12-6-4-11(15)5-7-12/h4-7,18H,1-3H3,(H,16,17).
What are the key properties of 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol?
6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol has a molecular weight of 307.19 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoanilino)-2,4,5-trimethylpyridin-3-ol is sourced from PubChem (CID 71622520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).