3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine

C14H14Br2N2 — CID 114250505

IUPAC3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
SMILESCCc1ccc(Nc2ncc(Br)cc2Br)cc1C
InChIInChI=1S/C14H14Br2N2/c1-3-10-4-5-12(6-9(10)2)18-14-13(16)7-11(15)8-17-14/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyPCKVBOJQCWRTKJ-UHFFFAOYSA-N
MW370.09 g/mol
LogP5.22
Rot. Bonds3

About 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine

3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine (PubChem CID 114250505) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
PubChem CID114250505
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
SMILESCCc1ccc(Nc2ncc(Br)cc2Br)cc1C
InChIInChI=1S/C14H14Br2N2/c1-3-10-4-5-12(6-9(10)2)18-14-13(16)7-11(15)8-17-14/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyPCKVBOJQCWRTKJ-UHFFFAOYSA-N
XLogP5.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.09
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
3,5-dibromo-N-(3-fluoro-4-methoxyphenyl)pyridin-2-amine
CID 113413794
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026
5-bromo-N-(3,4-dimethylphenyl)-3-nitropyridin-2-amine
CID 63462334
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
3,5-dibromo-N-(3,5-dimethoxyphenyl)pyridin-2-amine
CID 113413780

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine (CID 114250505) is 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine is CCc1ccc(Nc2ncc(Br)cc2Br)cc1C.
What is the InChIKey of 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine?
The InChIKey is PCKVBOJQCWRTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-3-10-4-5-12(6-9(10)2)18-14-13(16)7-11(15)8-17-14/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine?
3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine has a molecular weight of 370.09 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 114250505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).