4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde

C8H7F2IN2O — CID 118812768

IUPAC4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
SMILESNCc1cc(I)nc(C(F)F)c1C=O
InChIInChI=1S/C8H7F2IN2O/c9-8(10)7-5(3-14)4(2-12)1-6(11)13-7/h1,3,8H,2,12H2
InChIKeyNHWLFRXMGVNCEX-UHFFFAOYSA-N
MW312.06 g/mol
LogP1.89
Rot. Bonds3

About 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde

4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde (PubChem CID 118812768) has the molecular formula C8H7F2IN2O and a molecular weight of 312.06 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
PubChem CID118812768
Molecular FormulaC8H7F2IN2O
Molecular Weight312.06 g/mol
Exact Mass311.96
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
SMILESNCc1cc(I)nc(C(F)F)c1C=O
InChIInChI=1S/C8H7F2IN2O/c9-8(10)7-5(3-14)4(2-12)1-6(11)13-7/h1,3,8H,2,12H2
InChIKeyNHWLFRXMGVNCEX-UHFFFAOYSA-N
XLogP1.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075022
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
CID 118803878
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde (CID 118812768) is 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde is NCc1cc(I)nc(C(F)F)c1C=O.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde?
The InChIKey is NHWLFRXMGVNCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O/c9-8(10)7-5(3-14)4(2-12)1-6(11)13-7/h1,3,8H,2,12H2.
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde?
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde has a molecular weight of 312.06 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 118812768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).