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

C11H17ClFN3 — CID 115311005

IUPAC2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H17ClFN3/c1-7(2)11(3,6-14)16-10-9(13)4-8(12)5-15-10/h4-5,7H,6,14H2,1-3H3,(H,15,16)
InChIKeyWLQHUEXXCGOCLP-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.66
Rot. Bonds4

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

2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine (PubChem CID 115311005) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
PubChem CID115311005
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncc(Cl)cc1F
InChIInChI=1S/C11H17ClFN3/c1-7(2)11(3,6-14)16-10-9(13)4-8(12)5-15-10/h4-5,7H,6,14H2,1-3H3,(H,15,16)
InChIKeyWLQHUEXXCGOCLP-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.66
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)-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine (CID 115311005) is 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
The InChIKey is WLQHUEXXCGOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-7(2)11(3,6-14)16-10-9(13)4-8(12)5-15-10/h4-5,7H,6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine?
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine has a molecular weight of 245.73 g/mol, XLogP of 2.66, 4 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)-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115311005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).