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

C10H15BrClN3 — CID 114838664

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)c1ncc(Cl)cc1Br
InChIInChI=1S/C10H15BrClN3/c1-2-4-15(5-3-13)10-9(11)6-8(12)7-14-10/h6-7H,2-5,13H2,1H3
InChIKeyXZIQVJZGCJOHNI-UHFFFAOYSA-N
MW292.61 g/mol
LogP2.67
Rot. Bonds5

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

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine (PubChem CID 114838664) 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'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
PubChem CID114838664
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)c1ncc(Cl)cc1Br
InChIInChI=1S/C10H15BrClN3/c1-2-4-15(5-3-13)10-9(11)6-8(12)7-14-10/h6-7H,2-5,13H2,1H3
InChIKeyXZIQVJZGCJOHNI-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine (CID 114838664) is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine is CCCN(CCN)c1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine?
The InChIKey is XZIQVJZGCJOHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-2-4-15(5-3-13)10-9(11)6-8(12)7-14-10/h6-7H,2-5,13H2,1H3.
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine has a molecular weight of 292.61 g/mol, XLogP of 2.67, 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'-propylethane-1,2-diamine is sourced from PubChem (CID 114838664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).