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

C7H7ClF3N3O — CID 119001282

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

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

4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119001282) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID119001282
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1c(OC(F)(F)F)cnc(N)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c8-5-3(1-12)4(2-14-6(5)13)15-7(9,10)11/h2H,1,12H2,(H2,13,14)
InChIKeyDETLWOBRDXXSFA-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)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
4-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134670036
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine (CID 119001282) is 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine is NCc1c(OC(F)(F)F)cnc(N)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is DETLWOBRDXXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c8-5-3(1-12)4(2-14-6(5)13)15-7(9,10)11/h2H,1,12H2,(H2,13,14).
What are the key properties of 4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine?
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-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)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119001282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).