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

C7H7ClF3N3O — CID 131601158

IUPAC4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(N)cnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c8-6-5(15-7(9,10)11)3(1-12)4(13)2-14-6/h2H,1,12-13H2
InChIKeyIGALANXBSIINGQ-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.67
Rot. Bonds2

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

4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine (PubChem CID 131601158) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
PubChem CID131601158
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(N)cnc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c8-6-5(15-7(9,10)11)3(1-12)4(13)2-14-6/h2H,1,12-13H2
InChIKeyIGALANXBSIINGQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
methyl 5-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085948
4-chloro-6-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 131119063
2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133087681
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine (CID 131601158) is 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine is NCc1c(N)cnc(Cl)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is IGALANXBSIINGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c8-6-5(15-7(9,10)11)3(1-12)4(13)2-14-6/h2H,1,12-13H2.
What are the key properties of 4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine?
4-(aminomethyl)-6-chloro-5-(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)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 131601158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).