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

C14H11BrN2O3 — CID 103751678

IUPAC2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccnc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-13-7-9(3-4-16-13)14(18)17-10-1-2-11-12(8-10)20-6-5-19-11/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyZYOCPHIREVRIRA-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.87
Rot. Bonds2

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

2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide (PubChem CID 103751678) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
PubChem CID103751678
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccnc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c15-13-7-9(3-4-16-13)14(18)17-10-1-2-11-12(8-10)20-6-5-19-11/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyZYOCPHIREVRIRA-UHFFFAOYSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.87
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

2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-4-carboxamide
CID 103751947
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 103752062
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
2-(azepane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109090787
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylanilino)pyridine-4-carboxamide
CID 109176917
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091039
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide (CID 103751678) is 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
The InChIKey is ZYOCPHIREVRIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-13-7-9(3-4-16-13)14(18)17-10-1-2-11-12(8-10)20-6-5-19-11/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide?
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103751678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).