(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid

C8H6ClN3O2 — CID 130664455

IUPAC(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid
SMILESN#Cc1cc(Cl)ncc1[C@@H](N)C(=O)O
InChIInChI=1S/C8H6ClN3O2/c9-6-1-4(2-10)5(3-12-6)7(11)8(13)14/h1,3,7H,11H2,(H,13,14)/t7-/m1/s1
InChIKeyQRKRESCFTRWLSY-SSDOTTSWSA-N
MW211.61 g/mol
LogP0.69
Rot. Bonds2

About (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid

(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid (PubChem CID 130664455) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid
PubChem CID130664455
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid
SMILESN#Cc1cc(Cl)ncc1[C@@H](N)C(=O)O
InChIInChI=1S/C8H6ClN3O2/c9-6-1-4(2-10)5(3-12-6)7(11)8(13)14/h1,3,7H,11H2,(H,13,14)/t7-/m1/s1
InChIKeyQRKRESCFTRWLSY-SSDOTTSWSA-N
XLogP0.69
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
CID 130834771
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
CID 130701472
ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
2-amino-2-(2-cyano-3-pyridinyl)acetic acid
CID 83874641
2-amino-2-(4-amino-3-cyanophenyl)acetic acid
CID 77127940
methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
CID 55297389
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
5-amino-4-cyanopyridine-2-carbonyl chloride
CID 131012812
2-amino-2-(2-chloro-3-pyridinyl)acetic acid
CID 55270966
5-amino-6-cyanopyridine-3-carboxylic acid
CID 130777741
4-amino-5-cyanopyridine-2-carbonyl chloride
CID 118829142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid (CID 130664455) is (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid is N#Cc1cc(Cl)ncc1[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid?
The InChIKey is QRKRESCFTRWLSY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-6-1-4(2-10)5(3-12-6)7(11)8(13)14/h1,3,7H,11H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid?
(2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid has a molecular weight of 211.61 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(6-chloro-4-cyano-3-pyridinyl)acetic acid is sourced from PubChem (CID 130664455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).