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

C11H17BrClN3 — CID 114835420

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H17BrClN3/c1-2-5-16(6-3-4-14)11-10(12)7-9(13)8-15-11/h7-8H,2-6,14H2,1H3
InChIKeyJJGCXPOMWLSNFH-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.06
Rot. Bonds6

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

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine (PubChem CID 114835420) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
PubChem CID114835420
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1ncc(Cl)cc1Br
InChIInChI=1S/C11H17BrClN3/c1-2-5-16(6-3-4-14)11-10(12)7-9(13)8-15-11/h7-8H,2-6,14H2,1H3
InChIKeyJJGCXPOMWLSNFH-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 114835413
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 114835416
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-propylpropane-1,3-diamine
CID 80758520
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
3-bromo-N-(2-chloroethyl)-5-methyl-N-propylpyridin-2-amine
CID 105368683
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'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine
CID 60870239

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine (CID 114835420) is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
The InChIKey is JJGCXPOMWLSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3/c1-2-5-16(6-3-4-14)11-10(12)7-9(13)8-15-11/h7-8H,2-6,14H2,1H3.
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine has a molecular weight of 306.63 g/mol, XLogP of 3.06, 6 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'-propylpropane-1,3-diamine is sourced from PubChem (CID 114835420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).