2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid

C8H7ClF2N2O2 — CID 130102982

IUPAC2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1c(C(F)F)cc(CC(=O)O)nc1Cl
InChIInChI=1S/C8H7ClF2N2O2/c9-7-6(12)4(8(10)11)1-3(13-7)2-5(14)15/h1,8H,2,12H2,(H,14,15)
InChIKeyIWBWJBXVNYSCAZ-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.88
Rot. Bonds3

About 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid

2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 130102982) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID130102982
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1c(C(F)F)cc(CC(=O)O)nc1Cl
InChIInChI=1S/C8H7ClF2N2O2/c9-7-6(12)4(8(10)11)1-3(13-7)2-5(14)15/h1,8H,2,12H2,(H,14,15)
InChIKeyIWBWJBXVNYSCAZ-UHFFFAOYSA-N
XLogP1.88
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 51.88
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-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133099163
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid (CID 130102982) is 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid is Nc1c(C(F)F)cc(CC(=O)O)nc1Cl.
What is the InChIKey of 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is IWBWJBXVNYSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-7-6(12)4(8(10)11)1-3(13-7)2-5(14)15/h1,8H,2,12H2,(H,14,15).
What are the key properties of 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 236.60 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 130102982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).