(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride

C8H10Cl2F2N2O2 — CID 162344224

IUPAC(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride
SMILESCl.Cl.N[C@H](Cc1ccc(F)nc1F)C(=O)O
InChIInChI=1S/C8H8F2N2O2.2ClH/c9-6-2-1-4(7(10)12-6)3-5(11)8(13)14;;/h1-2,5H,3,11H2,(H,13,14);2*1H/t5-;;/m1../s1
InChIKeyGUPISBMKOGYUBE-ZJIMSODOSA-N
MW275.08 g/mol
LogP1.16
Rot. Bonds3

About (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride

(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride (PubChem CID 162344224) has the molecular formula C8H10Cl2F2N2O2 and a molecular weight of 275.08 g/mol. Its IUPAC name is (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride
PubChem CID162344224
Molecular FormulaC8H10Cl2F2N2O2
Molecular Weight275.08 g/mol
Exact Mass274.01
IUPAC Name(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride
SMILESCl.Cl.N[C@H](Cc1ccc(F)nc1F)C(=O)O
InChIInChI=1S/C8H8F2N2O2.2ClH/c9-6-2-1-4(7(10)12-6)3-5(11)8(13)14;;/h1-2,5H,3,11H2,(H,13,14);2*1H/t5-;;/m1../s1
InChIKeyGUPISBMKOGYUBE-ZJIMSODOSA-N
XLogP1.16
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.08
LogP ≤ 51.16
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

2-(2,6-difluoro-3-pyridinyl)acetic acid
CID 118998440
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
CID 163635916
CID 163635916
(2S)-2-amino-3-(2,4-difluoro-3-iodophenyl)propanoic acid
CID 90411427
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
2-amino-3-(4-borono-2-fluorophenyl)propanoic acid
CID 10092781
(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
CID 130749995

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride (CID 162344224) is (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride is Cl.Cl.N[C@H](Cc1ccc(F)nc1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride?
The InChIKey is GUPISBMKOGYUBE-ZJIMSODOSA-N. The full InChI is InChI=1S/C8H8F2N2O2.2ClH/c9-6-2-1-4(7(10)12-6)3-5(11)8(13)14;;/h1-2,5H,3,11H2,(H,13,14);2*1H/t5-;;/m1../s1.
What are the key properties of (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride?
(2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride has a molecular weight of 275.08 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2,6-difluoro-3-pyridinyl)propanoic acid;dihydrochloride is sourced from PubChem (CID 162344224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).