N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine

C14H14BrClFN3 — CID 114835413

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1ccc(F)cc1)c1ncc(Cl)cc1Br
InChIInChI=1S/C14H14BrClFN3/c15-13-8-10(16)9-19-14(13)20(7-1-6-18)12-4-2-11(17)3-5-12/h2-5,8-9H,1,6-7,18H2
InChIKeyVQNGLWVFLNCOLG-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.12
Rot. Bonds5

About N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (PubChem CID 114835413) has the molecular formula C14H14BrClFN3 and a molecular weight of 358.64 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
PubChem CID114835413
Molecular FormulaC14H14BrClFN3
Molecular Weight358.64 g/mol
Exact Mass357.00
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1ccc(F)cc1)c1ncc(Cl)cc1Br
InChIInChI=1S/C14H14BrClFN3/c15-13-8-10(16)9-19-14(13)20(7-1-6-18)12-4-2-11(17)3-5-12/h2-5,8-9H,1,6-7,18H2
InChIKeyVQNGLWVFLNCOLG-UHFFFAOYSA-N
XLogP4.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 114835416
N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 60871203
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43136242
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63208164
3-[N-(3-aminopropyl)-4-fluoroanilino]-1H-pyrazin-2-one
CID 114570610
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'-propylethane-1,2-diamine
CID 114838664
N'-benzyl-N'-(5-chloro-3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368165
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (CID 114835413) is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine is NCCCN(c1ccc(F)cc1)c1ncc(Cl)cc1Br.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The InChIKey is VQNGLWVFLNCOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFN3/c15-13-8-10(16)9-19-14(13)20(7-1-6-18)12-4-2-11(17)3-5-12/h2-5,8-9H,1,6-7,18H2.
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine has a molecular weight of 358.64 g/mol, XLogP of 4.12, 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'-(4-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 114835413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).