3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine

C12H9Br2ClN2O — CID 107622964

IUPAC3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2ncc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C12H9Br2ClN2O/c1-18-11-5-8(2-3-10(11)15)17-12-9(14)4-7(13)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyFDGOJLYMLRVZKU-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.01
Rot. Bonds3

About 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine

3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine (PubChem CID 107622964) has the molecular formula C12H9Br2ClN2O and a molecular weight of 392.48 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
PubChem CID107622964
Molecular FormulaC12H9Br2ClN2O
Molecular Weight392.48 g/mol
Exact Mass389.88
IUPAC Name3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2ncc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C12H9Br2ClN2O/c1-18-11-5-8(2-3-10(11)15)17-12-9(14)4-7(13)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyFDGOJLYMLRVZKU-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-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
N-(4-chloro-3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 58412675
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026
5-amino-2-(4-chloro-3-methoxyanilino)pyridine-3-carbonitrile
CID 107620892
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107623693

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine (CID 107622964) is 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine is COc1cc(Nc2ncc(Br)cc2Br)ccc1Cl.
What is the InChIKey of 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
The InChIKey is FDGOJLYMLRVZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O/c1-18-11-5-8(2-3-10(11)15)17-12-9(14)4-7(13)6-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-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 3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 107622964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).