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

C8H7F2IN2O — CID 130086932

IUPAC3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
SMILESNCc1c(C=O)ncc(I)c1C(F)F
InChIInChI=1S/C8H7F2IN2O/c9-8(10)7-4(1-12)6(3-14)13-2-5(7)11/h2-3,8H,1,12H2
InChIKeyXOIHEKFVPZVPME-UHFFFAOYSA-N
MW312.06 g/mol
LogP1.89
Rot. Bonds3

About 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde

3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde (PubChem CID 130086932) has the molecular formula C8H7F2IN2O and a molecular weight of 312.06 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
PubChem CID130086932
Molecular FormulaC8H7F2IN2O
Molecular Weight312.06 g/mol
Exact Mass311.96
IUPAC Name3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
SMILESNCc1c(C=O)ncc(I)c1C(F)F
InChIInChI=1S/C8H7F2IN2O/c9-8(10)7-4(1-12)6(3-14)13-2-5(7)11/h2-3,8H,1,12H2
InChIKeyXOIHEKFVPZVPME-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

3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664232
4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde (CID 130086932) is 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde is NCc1c(C=O)ncc(I)c1C(F)F.
What is the InChIKey of 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
The InChIKey is XOIHEKFVPZVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O/c9-8(10)7-4(1-12)6(3-14)13-2-5(7)11/h2-3,8H,1,12H2.
What are the key properties of 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
3-(aminomethyl)-4-(difluoromethyl)-5-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 3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130086932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).