4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

C8H8F2N2O2 — CID 130084648

IUPAC4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESNCc1c(C=O)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H8F2N2O2/c9-7(10)6-5(1-11)4(3-13)2-12-8(6)14/h2-3,7H,1,11H2,(H,12,14)
InChIKeyZQEBXUPFGMQCJA-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.58
Rot. Bonds3

About 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 130084648) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID130084648
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESNCc1c(C=O)c[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H8F2N2O2/c9-7(10)6-5(1-11)4(3-13)2-12-8(6)14/h2-3,7H,1,11H2,(H,12,14)
InChIKeyZQEBXUPFGMQCJA-UHFFFAOYSA-N
XLogP0.58
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084848
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130085194
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082587
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
3-(difluoromethyl)-2-oxo-5-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 130085417
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (CID 130084648) is 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is NCc1c(C=O)c[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is ZQEBXUPFGMQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-7(10)6-5(1-11)4(3-13)2-12-8(6)14/h2-3,7H,1,11H2,(H,12,14).
What are the key properties of 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 202.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 130084648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).