6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide

C14H12Br2N2O2 — CID 66463924

IUPAC6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H12Br2N2O2/c1-20-8-10-11(15)3-2-4-12(10)18-14(19)9-5-6-13(16)17-7-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyYWXLUAJKNWXMBC-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.01
Rot. Bonds4

About 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide

6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide (PubChem CID 66463924) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
PubChem CID66463924
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C14H12Br2N2O2/c1-20-8-10-11(15)3-2-4-12(10)18-14(19)9-5-6-13(16)17-7-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyYWXLUAJKNWXMBC-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
CID 61400591
N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide
CID 103221890
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide (CID 66463924) is 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide is COCc1c(Br)cccc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is YWXLUAJKNWXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-8-10-11(15)3-2-4-12(10)18-14(19)9-5-6-13(16)17-7-9/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide?
6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 400.07 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66463924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).