(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine

C8H10Cl2N2 — CID 130671245

IUPAC(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-2-6(11)7-4-3-5(9)8(10)12-7/h3-4,6H,2,11H2,1H3/t6-/m0/s1
InChIKeyZZZDEJUYZPIAIZ-LURJTMIESA-N
MW205.09 g/mol
LogP2.80
Rot. Bonds2

About (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine

(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine (PubChem CID 130671245) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
PubChem CID130671245
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2/c1-2-6(11)7-4-3-5(9)8(10)12-7/h3-4,6H,2,11H2,1H3/t6-/m0/s1
InChIKeyZZZDEJUYZPIAIZ-LURJTMIESA-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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Related Compounds

(2S)-2-amino-2-(5,6-dichloro-2-pyridinyl)ethanol
CID 130618210
[6-[(1R)-1-aminopropyl]-3-chloro-2-pyridinyl]methanol
CID 130855234
6-[(1R)-1-aminobutyl]-2-chloropyridin-3-ol
CID 131093477
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
1-benzo[h]quinolin-2-ylpropan-1-amine
CID 118118854
1-[5-(2-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585012
1-benzo[h]quinolin-2-ylpropan-1-amine;methanol
CID 142536181
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 126969515
(1R)-1-(1,5-naphthyridin-2-yl)propan-1-amine
CID 130615204
2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
CID 88634659
(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171223124
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine (CID 130671245) is (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine is CC[C@H](N)c1ccc(Cl)c(Cl)n1.
What is the InChIKey of (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine?
The InChIKey is ZZZDEJUYZPIAIZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-2-6(11)7-4-3-5(9)8(10)12-7/h3-4,6H,2,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine?
(1S)-1-(5,6-dichloro-2-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 (1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 130671245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).