5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine

C8H7Cl2FN2 — CID 156715215

IUPAC5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine
SMILESC=Cc1c(NC)nc(Cl)c(Cl)c1F
InChIInChI=1S/C8H7Cl2FN2/c1-3-4-6(11)5(9)7(10)13-8(4)12-2/h3H,1H2,2H3,(H,12,13)
InChIKeyUVNLLIKTPPYRIK-UHFFFAOYSA-N
MW221.06 g/mol
LogP3.21
Rot. Bonds2

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

5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine (PubChem CID 156715215) has the molecular formula C8H7Cl2FN2 and a molecular weight of 221.06 g/mol. Its IUPAC name is 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine
PubChem CID156715215
Molecular FormulaC8H7Cl2FN2
Molecular Weight221.06 g/mol
Exact Mass220.00
IUPAC Name5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine
SMILESC=Cc1c(NC)nc(Cl)c(Cl)c1F
InChIInChI=1S/C8H7Cl2FN2/c1-3-4-6(11)5(9)7(10)13-8(4)12-2/h3H,1H2,2H3,(H,12,13)
InChIKeyUVNLLIKTPPYRIK-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 53.21
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

1-[3,4,6-Trichloro-5-(trifluoromethyl)pyridin-2-yl]azepane
CID 534561
4-Methyl-5,6-dichloro-7-azaindoline
CID 12213572
N-Methyl-3-(trifluoromethyl)-6-chloro-2-pyridinamine
CID 11074677
6-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 11805975
3-chloro-6-N,6-N-dimethyl-5-(trifluoromethyl)pyridine-2,6-diamine
CID 22101791
6-chloro-3-fluoro-N-methylpyridin-2-amine
CID 53401507
6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
CID 59131330
5-Chloro-3,6-difluoro-4-propan-2-ylpyridin-2-amine
CID 67485810
2-Chloro-6-[(2,2-dimethyl-propyl)-amino]-5-fluoro-nicotinonitrile
CID 86588798
2-Chloro-6-(ethylamino)-5-fluoronicotinonitrile
CID 89537113
2-Chloro-5-fluoro-6-(propylamino)pyridine-3-carbonitrile
CID 89550301
6-[[(2R)-butan-2-yl]amino]-2-chloro-5-fluoropyridine-3-carbonitrile
CID 89551045

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine (CID 156715215) is 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine is C=Cc1c(NC)nc(Cl)c(Cl)c1F.
What is the InChIKey of 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine?
The InChIKey is UVNLLIKTPPYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2/c1-3-4-6(11)5(9)7(10)13-8(4)12-2/h3H,1H2,2H3,(H,12,13).
What are the key properties of 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine?
5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine has a molecular weight of 221.06 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-ethenyl-4-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 156715215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).