3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine

C8H7F6N3O — CID 119005601

IUPAC3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
SMILESNCc1c(N)ncc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H7F6N3O/c9-7(10,11)4-2-17-6(16)3(1-15)5(4)18-8(12,13)14/h2H,1,15H2,(H2,16,17)
InChIKeyBOHOAWBRKBVCRN-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.04
Rot. Bonds2

About 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 119005601) has the molecular formula C8H7F6N3O and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID119005601
Molecular FormulaC8H7F6N3O
Molecular Weight275.15 g/mol
Exact Mass275.05
IUPAC Name3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
SMILESNCc1c(N)ncc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H7F6N3O/c9-7(10,11)4-2-17-6(16)3(1-15)5(4)18-8(12,13)14/h2H,1,15H2,(H2,16,17)
InChIKeyBOHOAWBRKBVCRN-UHFFFAOYSA-N
XLogP2.04
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
4-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134670035
2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990941
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine (CID 119005601) is 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine is NCc1c(N)ncc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BOHOAWBRKBVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O/c9-7(10,11)4-2-17-6(16)3(1-15)5(4)18-8(12,13)14/h2H,1,15H2,(H2,16,17).
What are the key properties of 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 275.15 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119005601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).