[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine

C11H14Cl2N2 — CID 178198085

IUPAC[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-11(2)7(5-14)10(11)6-3-8(12)15-9(13)4-6/h3-4,7,10H,5,14H2,1-2H3/t7-,10-/m1/s1
InChIKeySJMIWLCFRYHBLC-GMSGAONNSA-N
MW245.15 g/mol
LogP3.09
Rot. Bonds2

About [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178198085) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178198085
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2/c1-11(2)7(5-14)10(11)6-3-8(12)15-9(13)4-6/h3-4,7,10H,5,14H2,1-2H3/t7-,10-/m1/s1
InChIKeySJMIWLCFRYHBLC-GMSGAONNSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine (CID 178198085) is [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1cc(Cl)nc(Cl)c1.
What is the InChIKey of [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is SJMIWLCFRYHBLC-GMSGAONNSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-11(2)7(5-14)10(11)6-3-8(12)15-9(13)4-6/h3-4,7,10H,5,14H2,1-2H3/t7-,10-/m1/s1.
What are the key properties of [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 245.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(2,6-dichloro-4-pyridinyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).