N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide

C14H10ClFN2O3 — CID 115497158

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(F)n1
InChIInChI=1S/C14H10ClFN2O3/c15-8-6-11-12(21-5-4-20-11)7-10(8)18-14(19)9-2-1-3-13(16)17-9/h1-3,6-7H,4-5H2,(H,18,19)
InChIKeyMXKPZKNZPRNXKT-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.90
Rot. Bonds2

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide (PubChem CID 115497158) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
PubChem CID115497158
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(F)n1
InChIInChI=1S/C14H10ClFN2O3/c15-8-6-11-12(21-5-4-20-11)7-10(8)18-14(19)9-2-1-3-13(16)17-9/h1-3,6-7H,4-5H2,(H,18,19)
InChIKeyMXKPZKNZPRNXKT-UHFFFAOYSA-N
XLogP2.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.90
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

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
N-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide
CID 115497334
N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
CID 103478796
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2H-triazole-4-carboxamide
CID 47367693
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 18121971
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 39820934
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide
CID 24556582

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide (CID 115497158) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(F)n1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide?
The InChIKey is MXKPZKNZPRNXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-8-6-11-12(21-5-4-20-11)7-10(8)18-14(19)9-2-1-3-13(16)17-9/h1-3,6-7H,4-5H2,(H,18,19).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide has a molecular weight of 308.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).