3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid

C10H6ClFN4O2 — CID 169187955

IUPAC3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cc(Cl)ncc2F)nc1C(=O)O
InChIInChI=1S/C10H6ClFN4O2/c11-7-1-4(5(12)2-14-7)6-3-15-9(13)8(16-6)10(17)18/h1-3H,(H2,13,15)(H,17,18)
InChIKeyUESZZJHDYRHQGA-UHFFFAOYSA-N
MW268.64 g/mol
LogP1.61
Rot. Bonds2

About 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid

3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid (PubChem CID 169187955) has the molecular formula C10H6ClFN4O2 and a molecular weight of 268.64 g/mol. Its IUPAC name is 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid
PubChem CID169187955
Molecular FormulaC10H6ClFN4O2
Molecular Weight268.64 g/mol
Exact Mass268.02
IUPAC Name3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cc(Cl)ncc2F)nc1C(=O)O
InChIInChI=1S/C10H6ClFN4O2/c11-7-1-4(5(12)2-14-7)6-3-15-9(13)8(16-6)10(17)18/h1-3H,(H2,13,15)(H,17,18)
InChIKeyUESZZJHDYRHQGA-UHFFFAOYSA-N
XLogP1.61
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.64
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid (CID 169187955) is 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid is Nc1ncc(-c2cc(Cl)ncc2F)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid?
The InChIKey is UESZZJHDYRHQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN4O2/c11-7-1-4(5(12)2-14-7)6-3-15-9(13)8(16-6)10(17)18/h1-3H,(H2,13,15)(H,17,18).
What are the key properties of 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid?
3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid has a molecular weight of 268.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chloro-5-fluoro-4-pyridinyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 169187955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).