2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid

C8H7ClF2N2O2 — CID 119013712

IUPAC2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNc1nc(CCl)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7ClF2N2O2/c9-2-3-1-4(6(10)11)5(8(14)15)7(12)13-3/h1,6H,2H2,(H2,12,13)(H,14,15)
InChIKeyUPFNOGMALAZEGP-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid

2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 119013712) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID119013712
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNc1nc(CCl)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7ClF2N2O2/c9-2-3-1-4(6(10)11)5(8(14)15)7(12)13-3/h1,6H,2H2,(H2,12,13)(H,14,15)
InChIKeyUPFNOGMALAZEGP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid (CID 119013712) is 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid is Nc1nc(CCl)cc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is UPFNOGMALAZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-2-3-1-4(6(10)11)5(8(14)15)7(12)13-3/h1,6H,2H2,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid?
2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 236.60 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 119013712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).