3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine

C12H9Br2ClN2O — CID 114837346

IUPAC3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
SMILESCOc1cc(Br)cc(Nc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C12H9Br2ClN2O/c1-18-10-3-7(13)2-9(5-10)17-12-11(14)4-8(15)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeySPOLBLLAKUZQSS-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.01
Rot. Bonds3

About 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine

3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine (PubChem CID 114837346) has the molecular formula C12H9Br2ClN2O and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
PubChem CID114837346
Molecular FormulaC12H9Br2ClN2O
Molecular Weight392.48 g/mol
Exact Mass389.88
IUPAC Name3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
SMILESCOc1cc(Br)cc(Nc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C12H9Br2ClN2O/c1-18-10-3-7(13)2-9(5-10)17-12-11(14)4-8(15)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeySPOLBLLAKUZQSS-UHFFFAOYSA-N
XLogP5.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780
N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
CID 82860927
3-bromo-2-N-(3,5-dimethoxyphenyl)pyridine-2,5-diamine
CID 79531944
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
4-N-(3-bromo-5-methoxyphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 82861319
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
CID 114836602
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine (CID 114837346) is 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine is COc1cc(Br)cc(Nc2ncc(Cl)cc2Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine?
The InChIKey is SPOLBLLAKUZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O/c1-18-10-3-7(13)2-9(5-10)17-12-11(14)4-8(15)6-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine?
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine has a molecular weight of 392.48 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 114837346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).