N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide

C13H10ClFN2O2 — CID 27023144

IUPACN-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2F)cn1
InChIInChI=1S/C13H10ClFN2O2/c1-19-11-6-5-8(7-16-11)13(18)17-10-4-2-3-9(14)12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyQEEQUCAALAJJFA-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.13
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide

N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide (PubChem CID 27023144) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
PubChem CID27023144
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(Cl)c2F)cn1
InChIInChI=1S/C13H10ClFN2O2/c1-19-11-6-5-8(7-16-11)13(18)17-10-4-2-3-9(14)12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyQEEQUCAALAJJFA-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide (CID 27023144) is N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2cccc(Cl)c2F)cn1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide?
The InChIKey is QEEQUCAALAJJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-19-11-6-5-8(7-16-11)13(18)17-10-4-2-3-9(14)12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide?
N-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide 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-(3-chloro-2-fluorophenyl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 27023144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).