2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane

C9H14ClFN2 — CID 177008253

IUPAC2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
SMILESCC.Cc1nc(Cl)c(F)c(N)c1C
InChIInChI=1S/C7H8ClFN2.C2H6/c1-3-4(2)11-7(8)5(9)6(3)10;1-2/h1-2H3,(H2,10,11);1-2H3
InChIKeyPXXQKRUYEHEQRB-UHFFFAOYSA-N
MW204.68 g/mol
LogP3.10
Rot. Bonds

About 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane

2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane (PubChem CID 177008253) has the molecular formula C9H14ClFN2 and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
PubChem CID177008253
Molecular FormulaC9H14ClFN2
Molecular Weight204.68 g/mol
Exact Mass204.08
IUPAC Name2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
SMILESCC.Cc1nc(Cl)c(F)c(N)c1C
InChIInChI=1S/C7H8ClFN2.C2H6/c1-3-4(2)11-7(8)5(9)6(3)10;1-2/h1-2H3,(H2,10,11);1-2H3
InChIKeyPXXQKRUYEHEQRB-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane?
The IUPAC name of 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane (CID 177008253) is 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane.
What is the SMILES notation for 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane?
The canonical SMILES for 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane is CC.Cc1nc(Cl)c(F)c(N)c1C.
What is the InChIKey of 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane?
The InChIKey is PXXQKRUYEHEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2.C2H6/c1-3-4(2)11-7(8)5(9)6(3)10;1-2/h1-2H3,(H2,10,11);1-2H3.
What are the key properties of 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane?
2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane has a molecular weight of 204.68 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane is sourced from PubChem (CID 177008253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).