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

C8H7F2IN2O — CID 130086925

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
SMILESNCc1c(I)cc(C=O)nc1C(F)F
InChIInChI=1S/C8H7F2IN2O/c9-8(10)7-5(2-12)6(11)1-4(3-14)13-7/h1,3,8H,2,12H2
InChIKeyXIKILINTLZLOPI-UHFFFAOYSA-N
MW312.06 g/mol
LogP1.89
Rot. Bonds3

About 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde

5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde (PubChem CID 130086925) has the molecular formula C8H7F2IN2O and a molecular weight of 312.06 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
PubChem CID130086925
Molecular FormulaC8H7F2IN2O
Molecular Weight312.06 g/mol
Exact Mass311.96
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
SMILESNCc1c(I)cc(C=O)nc1C(F)F
InChIInChI=1S/C8H7F2IN2O/c9-8(10)7-5(2-12)6(11)1-4(3-14)13-7/h1,3,8H,2,12H2
InChIKeyXIKILINTLZLOPI-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
6-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 118814418
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
CID 118812768
4-(aminomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 118812841

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde (CID 130086925) is 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde is NCc1c(I)cc(C=O)nc1C(F)F.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
The InChIKey is XIKILINTLZLOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O/c9-8(10)7-5(2-12)6(11)1-4(3-14)13-7/h1,3,8H,2,12H2.
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-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 5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130086925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).