3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol

C12H6Cl3F3N2O — CID 151157271

IUPAC3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1c(-c2ncc(C(F)(F)F)cc2Cl)cc(Cl)c(O)c1Cl
InChIInChI=1S/C12H6Cl3F3N2O/c13-6-1-4(12(16,17)18)3-20-10(6)5-2-7(14)11(21)8(15)9(5)19/h1-3,21H,19H2
InChIKeyMZMRDBJAZDSTPM-UHFFFAOYSA-N
MW357.55 g/mol
LogP5.02
Rot. Bonds1

About 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol

3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 151157271) has the molecular formula C12H6Cl3F3N2O and a molecular weight of 357.55 g/mol. Its IUPAC name is 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID151157271
Molecular FormulaC12H6Cl3F3N2O
Molecular Weight357.55 g/mol
Exact Mass355.95
IUPAC Name3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol
SMILESNc1c(-c2ncc(C(F)(F)F)cc2Cl)cc(Cl)c(O)c1Cl
InChIInChI=1S/C12H6Cl3F3N2O/c13-6-1-4(12(16,17)18)3-20-10(6)5-2-7(14)11(21)8(15)9(5)19/h1-3,21H,19H2
InChIKeyMZMRDBJAZDSTPM-UHFFFAOYSA-N
XLogP5.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline
CID 56633200
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylpyrazol-5-amine
CID 103596010
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
CID 15335409
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 142577160
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103596049
2-(5-azido-4-chloro-2-fluorophenyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 22466148
ethyl 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorophenoxy]-2-methoxyacetate
CID 134209488

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol (CID 151157271) is 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol is Nc1c(-c2ncc(C(F)(F)F)cc2Cl)cc(Cl)c(O)c1Cl.
What is the InChIKey of 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is MZMRDBJAZDSTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3F3N2O/c13-6-1-4(12(16,17)18)3-20-10(6)5-2-7(14)11(21)8(15)9(5)19/h1-3,21H,19H2.
What are the key properties of 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol?
3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 357.55 g/mol, XLogP of 5.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 151157271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).