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

C14H15ClFN3 — CID 60871203

IUPACN'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1ccc(F)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H15ClFN3/c15-11-2-7-14(18-10-11)19(9-1-8-17)13-5-3-12(16)4-6-13/h2-7,10H,1,8-9,17H2
InChIKeyNXPSGRWDZXGIIF-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.36
Rot. Bonds5

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

N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (PubChem CID 60871203) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
PubChem CID60871203
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1ccc(F)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H15ClFN3/c15-11-2-7-14(18-10-11)19(9-1-8-17)13-5-3-12(16)4-6-13/h2-7,10H,1,8-9,17H2
InChIKeyNXPSGRWDZXGIIF-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine (CID 60871203) is N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine is NCCCN(c1ccc(F)cc1)c1ccc(Cl)cn1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
The InChIKey is NXPSGRWDZXGIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-11-2-7-14(18-10-11)19(9-1-8-17)13-5-3-12(16)4-6-13/h2-7,10H,1,8-9,17H2.
What are the key properties of N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine?
N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine has a molecular weight of 279.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 60871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).