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

C9H10F2N2O2 — CID 118847981

IUPAC2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
SMILESCOc1cnc(CN)c(C(F)F)c1C=O
InChIInChI=1S/C9H10F2N2O2/c1-15-7-3-13-6(2-12)8(9(10)11)5(7)4-14/h3-4,9H,2,12H2,1H3
InChIKeyXPZAKMGPZODWQF-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.30
Rot. Bonds4

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

2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde (PubChem CID 118847981) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
PubChem CID118847981
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
SMILESCOc1cnc(CN)c(C(F)F)c1C=O
InChIInChI=1S/C9H10F2N2O2/c1-15-7-3-13-6(2-12)8(9(10)11)5(7)4-14/h3-4,9H,2,12H2,1H3
InChIKeyXPZAKMGPZODWQF-UHFFFAOYSA-N
XLogP1.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde (CID 118847981) is 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde is COc1cnc(CN)c(C(F)F)c1C=O.
What is the InChIKey of 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The InChIKey is XPZAKMGPZODWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-7-3-13-6(2-12)8(9(10)11)5(7)4-14/h3-4,9H,2,12H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde has a molecular weight of 216.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 118847981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).