(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine

C7H11ClN4 — CID 131097721

IUPAC(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cnc(Cl)c(N)c1
InChIInChI=1S/C7H11ClN4/c8-7-5(10)1-4(3-12-7)6(11)2-9/h1,3,6H,2,9-11H2/t6-/m0/s1
InChIKeyGUISMQUFMKLEJR-LURJTMIESA-N
MW186.65 g/mol
LogP0.28
Rot. Bonds2

About (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine

(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine (PubChem CID 131097721) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
PubChem CID131097721
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cnc(Cl)c(N)c1
InChIInChI=1S/C7H11ClN4/c8-7-5(10)1-4(3-12-7)6(11)2-9/h1,3,6H,2,9-11H2/t6-/m0/s1
InChIKeyGUISMQUFMKLEJR-LURJTMIESA-N
XLogP0.28
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
CID 130738641
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861677
(1S)-1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 66516677
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55274137
2,5-dichloropyridin-3-amine
CID 2799999
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
(1S)-1-(4-amino-3-chlorophenyl)ethane-1,2-diamine
CID 66516675
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine (CID 131097721) is (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine is NC[C@H](N)c1cnc(Cl)c(N)c1.
What is the InChIKey of (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is GUISMQUFMKLEJR-LURJTMIESA-N. The full InChI is InChI=1S/C7H11ClN4/c8-7-5(10)1-4(3-12-7)6(11)2-9/h1,3,6H,2,9-11H2/t6-/m0/s1.
What are the key properties of (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine?
(1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 186.65 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-amino-6-chloro-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 131097721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).