4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide

C14H13FN2O2 — CID 91652296

IUPAC4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cccc(CO)n1
InChIInChI=1S/C14H13FN2O2/c1-9-7-10(15)5-6-12(9)14(19)17-13-4-2-3-11(8-18)16-13/h2-7,18H,8H2,1H3,(H,16,17,19)
InChIKeyAFVGULZGLBMMHO-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.27
Rot. Bonds3

About 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide

4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide (PubChem CID 91652296) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide
PubChem CID91652296
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cccc(CO)n1
InChIInChI=1S/C14H13FN2O2/c1-9-7-10(15)5-6-12(9)14(19)17-13-4-2-3-11(8-18)16-13/h2-7,18H,8H2,1H3,(H,16,17,19)
InChIKeyAFVGULZGLBMMHO-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide (CID 91652296) is 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1cccc(CO)n1.
What is the InChIKey of 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide?
The InChIKey is AFVGULZGLBMMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-7-10(15)5-6-12(9)14(19)17-13-4-2-3-11(8-18)16-13/h2-7,18H,8H2,1H3,(H,16,17,19).
What are the key properties of 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide?
4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(hydroxymethyl)-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 91652296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).