3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine

C6H4Cl2F2N2 — CID 4252361

IUPAC3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine
SMILESCNc1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C6H4Cl2F2N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12)
InChIKeyRALRHMDYHYIJLG-UHFFFAOYSA-N
MW213.01 g/mol
LogP2.71
Rot. Bonds1

About 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine

3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine (PubChem CID 4252361) has the molecular formula C6H4Cl2F2N2 and a molecular weight of 213.01 g/mol. Its IUPAC name is 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine
PubChem CID4252361
Molecular FormulaC6H4Cl2F2N2
Molecular Weight213.01 g/mol
Exact Mass211.97
IUPAC Name3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine
SMILESCNc1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C6H4Cl2F2N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12)
InChIKeyRALRHMDYHYIJLG-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 52.71
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

CID 76089
CID 76089
CID 1556893
CID 1556893
CID 3488144
CID 3488144
CID 605477
CID 605477
CID 193523
CID 193523
CID 22284019
CID 22284019
CID 44886970
CID 44886970
CID 70497379
CID 70497379
CID 85924604
CID 85924604
CID 14965129
CID 14965129
CID 4237653
CID 4237653
CID 88059751
CID 88059751

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine?
The IUPAC name of 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine (CID 4252361) is 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine?
The canonical SMILES for 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine is CNc1c(Cl)c(F)nc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine?
The InChIKey is RALRHMDYHYIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2N2/c1-11-4-2(7)5(9)12-6(10)3(4)8/h1H3,(H,11,12).
What are the key properties of 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine?
3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine has a molecular weight of 213.01 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine is sourced from PubChem (CID 4252361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).