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

C10H15ClFN3 — CID 79734278

IUPAC2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncc(Cl)cc1F
InChIInChI=1S/C10H15ClFN3/c1-3-10(2,6-13)15-9-8(12)4-7(11)5-14-9/h4-5H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyNMMJIBPNTWJWBJ-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.41
Rot. Bonds4

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

2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine (PubChem CID 79734278) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
PubChem CID79734278
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncc(Cl)cc1F
InChIInChI=1S/C10H15ClFN3/c1-3-10(2,6-13)15-9-8(12)4-7(11)5-14-9/h4-5H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyNMMJIBPNTWJWBJ-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.41
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-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine (CID 79734278) is 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine is CCC(C)(CN)Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine?
The InChIKey is NMMJIBPNTWJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-3-10(2,6-13)15-9-8(12)4-7(11)5-14-9/h4-5H,3,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine?
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine has a molecular weight of 231.70 g/mol, XLogP of 2.41, 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-methylbutane-1,2-diamine is sourced from PubChem (CID 79734278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).