4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde

C8H8F2N2O — CID 130098054

IUPAC4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1c(C=O)cncc1C(F)F
InChIInChI=1S/C8H8F2N2O/c9-8(10)7-3-12-2-5(4-13)6(7)1-11/h2-4,8H,1,11H2
InChIKeyOSGWTVXXFUMNRL-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.29
Rot. Bonds3

About 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde

4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde (PubChem CID 130098054) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
PubChem CID130098054
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
SMILESNCc1c(C=O)cncc1C(F)F
InChIInChI=1S/C8H8F2N2O/c9-8(10)7-3-12-2-5(4-13)6(7)1-11/h2-4,8H,1,11H2
InChIKeyOSGWTVXXFUMNRL-UHFFFAOYSA-N
XLogP1.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130095910
methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134673298
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032
3-(bromomethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130098184
6-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118820202
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
5-amino-2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130107058
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde (CID 130098054) is 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde is NCc1c(C=O)cncc1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is OSGWTVXXFUMNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)7-3-12-2-5(4-13)6(7)1-11/h2-4,8H,1,11H2.
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde?
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 186.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 130098054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).