N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide

C13H10ClFN2O2 — CID 113265347

IUPACN-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H10ClFN2O2/c1-19-10-6-2-4-8(15)11(10)13(18)17-9-5-3-7-16-12(9)14/h2-7H,1H3,(H,17,18)
InChIKeyYCCQNYPTGBPZER-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.13
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide

N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide (PubChem CID 113265347) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
PubChem CID113265347
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H10ClFN2O2/c1-19-10-6-2-4-8(15)11(10)13(18)17-9-5-3-7-16-12(9)14/h2-7H,1H3,(H,17,18)
InChIKeyYCCQNYPTGBPZER-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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Related Compounds

2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide (CID 113265347) is N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is YCCQNYPTGBPZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-19-10-6-2-4-8(15)11(10)13(18)17-9-5-3-7-16-12(9)14/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide?
N-(2-chloro-3-pyridinyl)-2-fluoro-6-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-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 113265347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).