3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine

C6H3Cl2F3N2 — CID 13064154

IUPAC3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(Cl)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c7-3-1-2(6(9,10)11)4(8)13-5(3)12/h1H,(H2,12,13)
InChIKeyDFJZJWFNRBPXSZ-UHFFFAOYSA-N
MW231.00 g/mol
LogP2.99
Rot. Bonds

About 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine

3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 13064154) has the molecular formula C6H3Cl2F3N2 and a molecular weight of 231.00 g/mol. Its IUPAC name is 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID13064154
Molecular FormulaC6H3Cl2F3N2
Molecular Weight231.00 g/mol
Exact Mass229.96
IUPAC Name3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1nc(Cl)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C6H3Cl2F3N2/c7-3-1-2(6(9,10)11)4(8)13-5(3)12/h1H,(H2,12,13)
InChIKeyDFJZJWFNRBPXSZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.00
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-5-(trifluoromethyl)-2-pyridinamine
CID 607248
2-Amino-6-chloropyridine-3,5-dicarbonitrile
CID 295901
2-Amino-3,5-dichloro-6-methylpyridine
CID 1415863
2-Amino-5-chloro-3-methylpyridine
CID 350232
6-Amino-2-chloro-5-fluoronicotinonitrile
CID 88543284
6-Chloro-5-methylpyridin-2-amine
CID 45079594
2,3,6-Trichloro-5-(trifluoromethyl)pyridine
CID 2760690
6-Chloro-5-(trifluoromethyl)pyridin-2-amine
CID 13064153
6-Amino-2-chloronicotinonitrile
CID 22482841
2-Amino-4,6-dichloropyridine
CID 5316649
3,6-Dichloropyridin-2-amine
CID 3613425
3-Chloro-5-methylpyridin-2-amine
CID 12251011

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine (CID 13064154) is 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine is Nc1nc(Cl)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DFJZJWFNRBPXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2/c7-3-1-2(6(9,10)11)4(8)13-5(3)12/h1H,(H2,12,13).
What are the key properties of 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine?
3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 231.00 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 13064154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).