trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine

C10H12Cl2N2 — CID 130964805

IUPACtrans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCc1ccnc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2/c1-6-4-8(6)14-5-7-2-3-13-10(12)9(7)11/h2-3,6,8,14H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyHOGNPYRSCTXFKS-HTRCEHHLSA-N
MW231.13 g/mol
LogP2.89
Rot. Bonds3

About trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine

trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 130964805) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID130964805
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Nametrans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCc1ccnc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2/c1-6-4-8(6)14-5-7-2-3-13-10(12)9(7)11/h2-3,6,8,14H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyHOGNPYRSCTXFKS-HTRCEHHLSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.89
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 trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine (CID 130964805) is trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine is C[C@@H]1C[C@H]1NCc1ccnc(Cl)c1Cl.
What is the InChIKey of trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is HOGNPYRSCTXFKS-HTRCEHHLSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c1-6-4-8(6)14-5-7-2-3-13-10(12)9(7)11/h2-3,6,8,14H,4-5H2,1H3/t6-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine?
trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 231.13 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 130964805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).