N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide

C15H13FN2O3 — CID 106911689

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1cccc(F)n1
InChIInChI=1S/C15H13FN2O3/c16-13-6-2-5-12(18-13)14(19)17-11-4-1-3-10(9-11)15-20-7-8-21-15/h1-6,9,15H,7-8H2,(H,17,19)
InChIKeyUZNHGPHOHISSRB-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.52
Rot. Bonds3

About N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide

N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide (PubChem CID 106911689) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
PubChem CID106911689
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1cccc(F)n1
InChIInChI=1S/C15H13FN2O3/c16-13-6-2-5-12(18-13)14(19)17-11-4-1-3-10(9-11)15-20-7-8-21-15/h1-6,9,15H,7-8H2,(H,17,19)
InChIKeyUZNHGPHOHISSRB-UHFFFAOYSA-N
XLogP2.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106
5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
N-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide
CID 115497334
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide (CID 106911689) is N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)c1cccc(F)n1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is UZNHGPHOHISSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-13-6-2-5-12(18-13)14(19)17-11-4-1-3-10(9-11)15-20-7-8-21-15/h1-6,9,15H,7-8H2,(H,17,19).
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide?
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 106911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).