5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide

C10H12Br2N2O2 — CID 114309929

IUPAC5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCC(Br)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H12Br2N2O2/c1-16-6-8(12)5-14-10(15)9-3-2-7(11)4-13-9/h2-4,8H,5-6H2,1H3,(H,14,15)
InChIKeyNVELSYYBRSTLDX-UHFFFAOYSA-N
MW352.03 g/mol
LogP1.98
Rot. Bonds5

About 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide

5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 114309929) has the molecular formula C10H12Br2N2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
PubChem CID114309929
Molecular FormulaC10H12Br2N2O2
Molecular Weight352.03 g/mol
Exact Mass349.93
IUPAC Name5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCC(Br)CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H12Br2N2O2/c1-16-6-8(12)5-14-10(15)9-3-2-7(11)4-13-9/h2-4,8H,5-6H2,1H3,(H,14,15)
InChIKeyNVELSYYBRSTLDX-UHFFFAOYSA-N
XLogP1.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
5-bromo-N-(2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115759469
5-bromo-N-[(2S)-2,3-dihydroxypropyl]pyridine-2-carboxamide
CID 124510748
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide (CID 114309929) is 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide is COCC(Br)CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is NVELSYYBRSTLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2/c1-16-6-8(12)5-14-10(15)9-3-2-7(11)4-13-9/h2-4,8H,5-6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide?
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 352.03 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 114309929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).