3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine

C9H10Cl2N2 — CID 169474620

IUPAC3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2/c1-12-4-2-3-7-5-8(10)13-9(11)6-7/h2-3,5-6,12H,4H2,1H3
InChIKeyYIDVKVCIXPBKDS-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.62
Rot. Bonds3

About 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine

3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine (PubChem CID 169474620) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
PubChem CID169474620
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2/c1-12-4-2-3-7-5-8(10)13-9(11)6-7/h2-3,5-6,12H,4H2,1H3
InChIKeyYIDVKVCIXPBKDS-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.62
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-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
3-(2-chloroquinolin-6-yl)-N-methylprop-2-en-1-amine
CID 169474297
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
3-[4-(chloromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169473141
3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473325
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473286
3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
CID 169474790
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine (CID 169474620) is 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine is CNCC=Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine?
The InChIKey is YIDVKVCIXPBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-12-4-2-3-7-5-8(10)13-9(11)6-7/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine?
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine has a molecular weight of 217.10 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).