N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide

C13H10ClFN2O2 — CID 70684086

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C13H10ClFN2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-9-3-5-12(14)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyYRYLWMYMVGXKBN-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.13
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide (PubChem CID 70684086) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide
PubChem CID70684086
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C13H10ClFN2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-9-3-5-12(14)16-7-9/h2-7H,1H3,(H,17,18)
InChIKeyYRYLWMYMVGXKBN-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide (CID 70684086) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is YRYLWMYMVGXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-19-11-4-2-8(6-10(11)15)13(18)17-9-3-5-12(14)16-7-9/h2-7H,1H3,(H,17,18).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 280.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 70684086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).