4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde

C8H7ClF2N2O — CID 130107562

IUPAC4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(C=O)nc(C(F)F)c1CCl
InChIInChI=1S/C8H7ClF2N2O/c9-2-5-6(12)1-4(3-14)13-7(5)8(10)11/h1,3,8H,2H2,(H2,12,13)
InChIKeyJEWBWHHFPCTSKJ-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde

4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130107562) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130107562
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(C=O)nc(C(F)F)c1CCl
InChIInChI=1S/C8H7ClF2N2O/c9-2-5-6(12)1-4(3-14)13-7(5)8(10)11/h1,3,8H,2H2,(H2,12,13)
InChIKeyJEWBWHHFPCTSKJ-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 130107562) is 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is Nc1cc(C=O)nc(C(F)F)c1CCl.
What is the InChIKey of 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is JEWBWHHFPCTSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-2-5-6(12)1-4(3-14)13-7(5)8(10)11/h1,3,8H,2H2,(H2,12,13).
What are the key properties of 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 220.61 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130107562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).