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

C14H14BrClN2O2 — CID 105367588

IUPAC3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
SMILESCOc1cc(Nc2ncc(C)cc2Br)c(OC)cc1Cl
InChIInChI=1S/C14H14BrClN2O2/c1-8-4-9(15)14(17-7-8)18-11-6-12(19-2)10(16)5-13(11)20-3/h4-7H,1-3H3,(H,17,18)
InChIKeyVUGNEBUTZMIDJR-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.57
Rot. Bonds4

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

3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine (PubChem CID 105367588) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
PubChem CID105367588
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
SMILESCOc1cc(Nc2ncc(C)cc2Br)c(OC)cc1Cl
InChIInChI=1S/C14H14BrClN2O2/c1-8-4-9(15)14(17-7-8)18-11-6-12(19-2)10(16)5-13(11)20-3/h4-7H,1-3H3,(H,17,18)
InChIKeyVUGNEBUTZMIDJR-UHFFFAOYSA-N
XLogP4.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276
3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
CID 107607834
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethylpyridazin-3-amine
CID 63271923
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
CID 114836602
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80911429
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine (CID 105367588) is 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine is COc1cc(Nc2ncc(C)cc2Br)c(OC)cc1Cl.
What is the InChIKey of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine?
The InChIKey is VUGNEBUTZMIDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-8-4-9(15)14(17-7-8)18-11-6-12(19-2)10(16)5-13(11)20-3/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine?
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine has a molecular weight of 357.64 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 105367588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).