6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H8F3N3O2 — CID 133085848

IUPAC6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1c(OC(F)(F)F)cc(N)nc1C=O
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)16-6-1-7(13)14-5(3-15)4(6)2-12/h1,3H,2,12H2,(H2,13,14)
InChIKeyHAKYTWFPVQMRJO-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.83
Rot. Bonds3

About 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde

6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 133085848) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID133085848
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESNCc1c(OC(F)(F)F)cc(N)nc1C=O
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)16-6-1-7(13)14-5(3-15)4(6)2-12/h1,3H,2,12H2,(H2,13,14)
InChIKeyHAKYTWFPVQMRJO-UHFFFAOYSA-N
XLogP0.83
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.83
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

methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085924
methyl 2-[6-amino-2-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086083
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664232
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
3-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridin-2-amine
CID 133086223
5-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-2-amine
CID 131369755
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
2-[2-amino-6-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119003450
3-(fluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134666917

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 133085848) is 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde is NCc1c(OC(F)(F)F)cc(N)nc1C=O.
What is the InChIKey of 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is HAKYTWFPVQMRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)16-6-1-7(13)14-5(3-15)4(6)2-12/h1,3H,2,12H2,(H2,13,14).
What are the key properties of 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 235.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 133085848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).