5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine

C13H13BrClN3 — CID 113423990

IUPAC5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H13BrClN3/c1-2-17-10-6-11(8-16-7-10)18-13-5-9(14)3-4-12(13)15/h3-8,17-18H,2H2,1H3
InChIKeyVFZLOJNXHKRABU-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.67
Rot. Bonds4

About 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine

5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 113423990) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID113423990
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C13H13BrClN3/c1-2-17-10-6-11(8-16-7-10)18-13-5-9(14)3-4-12(13)15/h3-8,17-18H,2H2,1H3
InChIKeyVFZLOJNXHKRABU-UHFFFAOYSA-N
XLogP4.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128
5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535660
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104534804
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine (CID 113423990) is 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is VFZLOJNXHKRABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-2-17-10-6-11(8-16-7-10)18-13-5-9(14)3-4-12(13)15/h3-8,17-18H,2H2,1H3.
What are the key properties of 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 326.63 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 113423990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).