N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide

C13H9F3N2O2 — CID 115497227

IUPACN-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1cccc(F)n1
InChIInChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)
InChIKeyJMTBFWVNWCMVMY-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.07
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide

N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115497227) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
PubChem CID115497227
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1cccc(F)n1
InChIInChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)
InChIKeyJMTBFWVNWCMVMY-UHFFFAOYSA-N
XLogP3.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.07
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

methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115497035
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 71788429
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
6-N-(3-fluorophenyl)-2-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109100999
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide (CID 115497227) is N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1cccc(F)n1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is JMTBFWVNWCMVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide?
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 282.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).