3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine

C13H12Br2N2O2 — CID 113413780

IUPAC3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2ncc(Br)cc2Br)cc(OC)c1
InChIInChI=1S/C13H12Br2N2O2/c1-18-10-4-9(5-11(6-10)19-2)17-13-12(15)3-8(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyMFJWQNVZCKSXLG-UHFFFAOYSA-N
MW388.06 g/mol
LogP4.37
Rot. Bonds4

About 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine

3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine (PubChem CID 113413780) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
PubChem CID113413780
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2ncc(Br)cc2Br)cc(OC)c1
InChIInChI=1S/C13H12Br2N2O2/c1-18-10-4-9(5-11(6-10)19-2)17-13-12(15)3-8(14)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyMFJWQNVZCKSXLG-UHFFFAOYSA-N
XLogP4.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
CID 59353304
3-bromo-5-methoxy-N-methylpyridin-2-amine
CID 175331682
N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
CID 82860927
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine (CID 113413780) is 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine is COc1cc(Nc2ncc(Br)cc2Br)cc(OC)c1.
What is the InChIKey of 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is MFJWQNVZCKSXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c1-18-10-4-9(5-11(6-10)19-2)17-13-12(15)3-8(14)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine?
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 388.06 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 113413780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).