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

C14H10BrFN2O3 — CID 61292718

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1ccnc(F)c1
InChIInChI=1S/C14H10BrFN2O3/c15-9-6-11-12(21-4-3-20-11)7-10(9)18-14(19)8-1-2-17-13(16)5-8/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyWRQOWYUVDWDMTO-UHFFFAOYSA-N
MW353.15 g/mol
LogP3.01
Rot. Bonds2

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

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide (PubChem CID 61292718) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide
PubChem CID61292718
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cc2c(cc1Br)OCCO2)c1ccnc(F)c1
InChIInChI=1S/C14H10BrFN2O3/c15-9-6-11-12(21-4-3-20-11)7-10(9)18-14(19)8-1-2-17-13(16)5-8/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyWRQOWYUVDWDMTO-UHFFFAOYSA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 53.01
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-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 46409815
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazine-2-carboxamide
CID 26902972
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 37352396
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55757903
3-bromo-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-2-carboxamide
CID 47233334
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-4-carboxamide
CID 103751947
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(dimethylamino)-3-nitrobenzamide
CID 34547747
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide (CID 61292718) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide is O=C(Nc1cc2c(cc1Br)OCCO2)c1ccnc(F)c1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide?
The InChIKey is WRQOWYUVDWDMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c15-9-6-11-12(21-4-3-20-11)7-10(9)18-14(19)8-1-2-17-13(16)5-8/h1-2,5-7H,3-4H2,(H,18,19).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide has a molecular weight of 353.15 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61292718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).