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

C7H7ClN2O2 — CID 55270966

IUPAC2-amino-2-(2-chloro-3-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1cccnc1Cl
InChIInChI=1S/C7H7ClN2O2/c8-6-4(2-1-3-10-6)5(9)7(11)12/h1-3,5H,9H2,(H,11,12)
InChIKeyBDNXTEPTRCZNFF-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.82
Rot. Bonds2

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

2-amino-2-(2-chloro-3-pyridinyl)acetic acid (PubChem CID 55270966) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-chloro-3-pyridinyl)acetic acid
PubChem CID55270966
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-amino-2-(2-chloro-3-pyridinyl)acetic acid
SMILESNC(C(=O)O)c1cccnc1Cl
InChIInChI=1S/C7H7ClN2O2/c8-6-4(2-1-3-10-6)5(9)7(11)12/h1-3,5H,9H2,(H,11,12)
InChIKeyBDNXTEPTRCZNFF-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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 2-amino-2-(2-chloro-3-pyridinyl)acetic acid?
The IUPAC name of 2-amino-2-(2-chloro-3-pyridinyl)acetic acid (CID 55270966) is 2-amino-2-(2-chloro-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-chloro-3-pyridinyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-chloro-3-pyridinyl)acetic acid is NC(C(=O)O)c1cccnc1Cl.
What is the InChIKey of 2-amino-2-(2-chloro-3-pyridinyl)acetic acid?
The InChIKey is BDNXTEPTRCZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-6-4(2-1-3-10-6)5(9)7(11)12/h1-3,5H,9H2,(H,11,12).
What are the key properties of 2-amino-2-(2-chloro-3-pyridinyl)acetic acid?
2-amino-2-(2-chloro-3-pyridinyl)acetic acid has a molecular weight of 186.60 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-3-pyridinyl)acetic acid is sourced from PubChem (CID 55270966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).