3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine

C13H12BrClN2O2 — CID 114836602

IUPAC3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C13H12BrClN2O2/c1-18-9-3-4-11(12(6-9)19-2)17-13-10(14)5-8(15)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyAYVBPXSUTPVUGS-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.26
Rot. Bonds4

About 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine

3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 114836602) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
PubChem CID114836602
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C13H12BrClN2O2/c1-18-9-3-4-11(12(6-9)19-2)17-13-10(14)5-8(15)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyAYVBPXSUTPVUGS-UHFFFAOYSA-N
XLogP4.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
3-bromo-2-N-(2-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 79534385
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 114836594
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine (CID 114836602) is 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine is COc1ccc(Nc2ncc(Cl)cc2Br)c(OC)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is AYVBPXSUTPVUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-18-9-3-4-11(12(6-9)19-2)17-13-10(14)5-8(15)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 343.61 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 114836602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).