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

C8H8F2N2O2 — CID 118842576

IUPAC2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESNCc1[nH]c(=O)cc(C(F)F)c1C=O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)4-1-7(14)12-6(2-11)5(4)3-13/h1,3,8H,2,11H2,(H,12,14)
InChIKeyLMQCSGCPCMTMMU-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.58
Rot. Bonds3

About 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde

2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 118842576) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
PubChem CID118842576
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
SMILESNCc1[nH]c(=O)cc(C(F)F)c1C=O
InChIInChI=1S/C8H8F2N2O2/c9-8(10)4-1-7(14)12-6(2-11)5(4)3-13/h1,3,8H,2,11H2,(H,12,14)
InChIKeyLMQCSGCPCMTMMU-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

6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118829781
5-amino-6-(bromomethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130104680
4-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118823507
6-(aminomethyl)-4-(difluoromethyl)-2-methoxypyridine-3-carbaldehyde
CID 133085000
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 118853573
6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 118808520
2-[3-amino-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 133093438
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde (CID 118842576) is 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is NCc1[nH]c(=O)cc(C(F)F)c1C=O.
What is the InChIKey of 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is LMQCSGCPCMTMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-8(10)4-1-7(14)12-6(2-11)5(4)3-13/h1,3,8H,2,11H2,(H,12,14).
What are the key properties of 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde?
2-(aminomethyl)-4-(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 2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 118842576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).