3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde

C8H7F3N2O3 — CID 134666990

IUPAC3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESNCc1c(OC(F)(F)F)ncc(O)c1C=O
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)16-7-4(1-12)5(3-14)6(15)2-13-7/h2-3,15H,1,12H2
InChIKeyFWBVDKRUTHQDCF-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.96
Rot. Bonds3

About 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde

3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde (PubChem CID 134666990) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
PubChem CID134666990
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
SMILESNCc1c(OC(F)(F)F)ncc(O)c1C=O
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)16-7-4(1-12)5(3-14)6(15)2-13-7/h2-3,15H,1,12H2
InChIKeyFWBVDKRUTHQDCF-UHFFFAOYSA-N
XLogP0.96
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667648
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde (CID 134666990) is 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde is NCc1c(OC(F)(F)F)ncc(O)c1C=O.
What is the InChIKey of 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
The InChIKey is FWBVDKRUTHQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)16-7-4(1-12)5(3-14)6(15)2-13-7/h2-3,15H,1,12H2.
What are the key properties of 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde?
3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde has a molecular weight of 236.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 134666990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).