(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine

C7H9ClFN3 — CID 55271464

IUPAC(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3/c8-7-1-4(6(11)2-10)5(9)3-12-7/h1,3,6H,2,10-11H2/t6-/m0/s1
InChIKeyQCFFWMDQECDMDT-LURJTMIESA-N
MW189.62 g/mol
LogP0.83
Rot. Bonds2

About (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine

(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine (PubChem CID 55271464) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
PubChem CID55271464
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC Name(1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1cc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3/c8-7-1-4(6(11)2-10)5(9)3-12-7/h1,3,6H,2,10-11H2/t6-/m0/s1
InChIKeyQCFFWMDQECDMDT-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine (CID 55271464) is (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine is NC[C@H](N)c1cc(Cl)ncc1F.
What is the InChIKey of (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is QCFFWMDQECDMDT-LURJTMIESA-N. The full InChI is InChI=1S/C7H9ClFN3/c8-7-1-4(6(11)2-10)5(9)3-12-7/h1,3,6H,2,10-11H2/t6-/m0/s1.
What are the key properties of (1R)-1-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine?
(1R)-1-(2-chloro-5-fluoro-4-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-(2-chloro-5-fluoro-4-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55271464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).