2-(3-amino-5-chloro-2-pyridinyl)acetic acid

C7H7ClN2O2 — CID 55252749

IUPAC2-(3-amino-5-chloro-2-pyridinyl)acetic acid
SMILESNc1cc(Cl)cnc1CC(=O)O
InChIInChI=1S/C7H7ClN2O2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2,9H2,(H,11,12)
InChIKeyPYPFRYGJFYFHTC-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.94
Rot. Bonds2

About 2-(3-amino-5-chloro-2-pyridinyl)acetic acid

2-(3-amino-5-chloro-2-pyridinyl)acetic acid (PubChem CID 55252749) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-(3-amino-5-chloro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-5-chloro-2-pyridinyl)acetic acid
PubChem CID55252749
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-(3-amino-5-chloro-2-pyridinyl)acetic acid
SMILESNc1cc(Cl)cnc1CC(=O)O
InChIInChI=1S/C7H7ClN2O2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2,9H2,(H,11,12)
InChIKeyPYPFRYGJFYFHTC-UHFFFAOYSA-N
XLogP0.94
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-chloro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-amino-5-chloro-2-pyridinyl)acetic acid (CID 55252749) is 2-(3-amino-5-chloro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-amino-5-chloro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-amino-5-chloro-2-pyridinyl)acetic acid is Nc1cc(Cl)cnc1CC(=O)O.
What is the InChIKey of 2-(3-amino-5-chloro-2-pyridinyl)acetic acid?
The InChIKey is PYPFRYGJFYFHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2,9H2,(H,11,12).
What are the key properties of 2-(3-amino-5-chloro-2-pyridinyl)acetic acid?
2-(3-amino-5-chloro-2-pyridinyl)acetic acid has a molecular weight of 186.60 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-chloro-2-pyridinyl)acetic acid is sourced from PubChem (CID 55252749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).