(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine

C8H10Cl2N2 — CID 130664333

IUPAC(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Cl)cnc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-2-7(11)6-3-5(9)4-12-8(6)10/h3-4,7H,2,11H2,1H3/t7-/m1/s1
InChIKeyKZMQQDHMFNHPBR-SSDOTTSWSA-N
MW205.09 g/mol
LogP2.80
Rot. Bonds2

About (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine

(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine (PubChem CID 130664333) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
PubChem CID130664333
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
SMILESCC[C@@H](N)c1cc(Cl)cnc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-2-7(11)6-3-5(9)4-12-8(6)10/h3-4,7H,2,11H2,1H3/t7-/m1/s1
InChIKeyKZMQQDHMFNHPBR-SSDOTTSWSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.80
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)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine?
The IUPAC name of (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine (CID 130664333) is (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine is CC[C@@H](N)c1cc(Cl)cnc1Cl.
What is the InChIKey of (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine?
The InChIKey is KZMQQDHMFNHPBR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-2-7(11)6-3-5(9)4-12-8(6)10/h3-4,7H,2,11H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine?
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine has a molecular weight of 205.09 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 130664333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).