N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide

C14H13FN2O2 — CID 64781836

IUPACN-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(F)c2)c(C)n1
InChIInChI=1S/C14H13FN2O2/c1-8-3-5-11(9(2)16-8)14(19)17-10-4-6-13(18)12(15)7-10/h3-7,18H,1-2H3,(H,17,19)
InChIKeyAORGJRHDOYMYIK-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.80
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 64781836) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID64781836
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(F)c2)c(C)n1
InChIInChI=1S/C14H13FN2O2/c1-8-3-5-11(9(2)16-8)14(19)17-10-4-6-13(18)12(15)7-10/h3-7,18H,1-2H3,(H,17,19)
InChIKeyAORGJRHDOYMYIK-UHFFFAOYSA-N
XLogP2.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide (CID 64781836) is N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(O)c(F)c2)c(C)n1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is AORGJRHDOYMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-3-5-11(9(2)16-8)14(19)17-10-4-6-13(18)12(15)7-10/h3-7,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 64781836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).