4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine

C7H7ClF3N3O — CID 133085758

IUPAC4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(N)cnc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-5-3(1-12)4(13)2-14-6(5)15-7(9,10)11/h2H,1,12-13H2
InChIKeyABPGWVQIPUXDKC-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.67
Rot. Bonds2

About 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine

4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine (PubChem CID 133085758) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
PubChem CID133085758
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(N)cnc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-5-3(1-12)4(13)2-14-6(5)15-7(9,10)11/h2H,1,12-13H2
InChIKeyABPGWVQIPUXDKC-UHFFFAOYSA-N
XLogP1.67
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[4-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089738
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine (CID 133085758) is 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine is NCc1c(N)cnc(OC(F)(F)F)c1Cl.
What is the InChIKey of 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is ABPGWVQIPUXDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c8-5-3(1-12)4(13)2-14-6(5)15-7(9,10)11/h2H,1,12-13H2.
What are the key properties of 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine?
4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 241.60 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 133085758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).