2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine

C12H19ClFN3 — CID 115310284

IUPAC2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ncc(Cl)cc1F
InChIInChI=1S/C12H19ClFN3/c1-8(2)5-12(3,7-15)17-11-10(14)4-9(13)6-16-11/h4,6,8H,5,7,15H2,1-3H3,(H,16,17)
InChIKeyNVLLJSVFBIDREG-UHFFFAOYSA-N
MW259.76 g/mol
LogP3.05
Rot. Bonds5

About 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine

2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 115310284) has the molecular formula C12H19ClFN3 and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
PubChem CID115310284
Molecular FormulaC12H19ClFN3
Molecular Weight259.76 g/mol
Exact Mass259.13
IUPAC Name2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ncc(Cl)cc1F
InChIInChI=1S/C12H19ClFN3/c1-8(2)5-12(3,7-15)17-11-10(14)4-9(13)6-16-11/h4,6,8H,5,7,15H2,1-3H3,(H,16,17)
InChIKeyNVLLJSVFBIDREG-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine (CID 115310284) is 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is NVLLJSVFBIDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClFN3/c1-8(2)5-12(3,7-15)17-11-10(14)4-9(13)6-16-11/h4,6,8H,5,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine?
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 259.76 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 115310284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).