N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine

C10H15BrClN3 — CID 114835871

IUPACN-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ncc(Cl)cc1Br
InChIInChI=1S/C10H15BrClN3/c1-3-15(2)5-4-13-10-9(11)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyGTUFYVGFCWZDFX-UHFFFAOYSA-N
MW292.61 g/mol
LogP2.86
Rot. Bonds5

About N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 114835871) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID114835871
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC NameN-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1ncc(Cl)cc1Br
InChIInChI=1S/C10H15BrClN3/c1-3-15(2)5-4-13-10-9(11)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyGTUFYVGFCWZDFX-UHFFFAOYSA-N
XLogP2.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
N-(5-bromo-2-chloropyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79073683
N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79557378
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 80918989
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 114835871) is N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1ncc(Cl)cc1Br.
What is the InChIKey of N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is GTUFYVGFCWZDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-3-15(2)5-4-13-10-9(11)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 292.61 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114835871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).