N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide

C13H11FN2O3 — CID 103874413

IUPACN-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2F)cc1O
InChIInChI=1S/C13H11FN2O3/c1-19-12-3-2-8(6-11(12)17)13(18)16-10-4-5-15-7-9(10)14/h2-7,17H,1H3,(H,15,16,18)
InChIKeySEIGCMFCRKHEJE-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.19
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide

N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 103874413) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
PubChem CID103874413
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2F)cc1O
InChIInChI=1S/C13H11FN2O3/c1-19-12-3-2-8(6-11(12)17)13(18)16-10-4-5-15-7-9(10)14/h2-7,17H,1H3,(H,15,16,18)
InChIKeySEIGCMFCRKHEJE-UHFFFAOYSA-N
XLogP2.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide (CID 103874413) is N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccncc2F)cc1O.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is SEIGCMFCRKHEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-12-3-2-8(6-11(12)17)13(18)16-10-4-5-15-7-9(10)14/h2-7,17H,1H3,(H,15,16,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 262.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103874413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).