5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde

C8H7ClF2N2O — CID 130107550

IUPAC5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(CCl)c(C=O)nc1C(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-2-4-1-5(12)7(8(10)11)13-6(4)3-14/h1,3,8H,2,12H2
InChIKeyPYAIIMJTKPJEEK-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde

5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (PubChem CID 130107550) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
PubChem CID130107550
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
SMILESNc1cc(CCl)c(C=O)nc1C(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-2-4-1-5(12)7(8(10)11)13-6(4)3-14/h1,3,8H,2,12H2
InChIKeyPYAIIMJTKPJEEK-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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Related Compounds

3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
3-amino-5-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102096
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107570

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde (CID 130107550) is 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is Nc1cc(CCl)c(C=O)nc1C(F)F.
What is the InChIKey of 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is PYAIIMJTKPJEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-2-4-1-5(12)7(8(10)11)13-6(4)3-14/h1,3,8H,2,12H2.
What are the key properties of 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde?
5-amino-3-(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 5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130107550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).