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

C7H9ClFN3 — CID 55271248

IUPAC(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cc(Cl)cnc1F
InChIInChI=1S/C7H9ClFN3/c8-4-1-5(6(11)2-10)7(9)12-3-4/h1,3,6H,2,10-11H2/t6-/m0/s1
InChIKeyBDWZCKHXEDJODF-LURJTMIESA-N
MW189.62 g/mol
LogP0.83
Rot. Bonds2

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

(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine (PubChem CID 55271248) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
PubChem CID55271248
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC Name(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cc(Cl)cnc1F
InChIInChI=1S/C7H9ClFN3/c8-4-1-5(6(11)2-10)7(9)12-3-4/h1,3,6H,2,10-11H2/t6-/m0/s1
InChIKeyBDWZCKHXEDJODF-LURJTMIESA-N
XLogP0.83
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(1S)-1-(5-chloro-2-fluoro-3-pyridinyl)ethanamine
CID 130907422
(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
CID 55271464
1-(3,5-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 77131124
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
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
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
CID 130664333
(1R)-1-(5-bromo-2-fluoro-3-pyridinyl)butan-1-amine
CID 130612069
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
(1S)-1-(2,3-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517407

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine (CID 55271248) is (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine is NC[C@H](N)c1cc(Cl)cnc1F.
What is the InChIKey of (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is BDWZCKHXEDJODF-LURJTMIESA-N. The full InChI is InChI=1S/C7H9ClFN3/c8-4-1-5(6(11)2-10)7(9)12-3-4/h1,3,6H,2,10-11H2/t6-/m0/s1.
What are the key properties of (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine?
(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 189.62 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55271248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).