N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline

C14H14Cl2N2 — CID 62891798

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
SMILESCCN(Cc1nc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H14Cl2N2/c1-2-18(11-6-4-3-5-7-11)10-13-12(15)8-9-14(16)17-13/h3-9H,2,10H2,1H3
InChIKeySZADDAHZCZIEQB-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.41
Rot. Bonds4

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline (PubChem CID 62891798) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
PubChem CID62891798
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
SMILESCCN(Cc1nc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H14Cl2N2/c1-2-18(11-6-4-3-5-7-11)10-13-12(15)8-9-14(16)17-13/h3-9H,2,10H2,1H3
InChIKeySZADDAHZCZIEQB-UHFFFAOYSA-N
XLogP4.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.41
H-Bond Donors ≤ 50
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 N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline (CID 62891798) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline is CCN(Cc1nc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline?
The InChIKey is SZADDAHZCZIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-2-18(11-6-4-3-5-7-11)10-13-12(15)8-9-14(16)17-13/h3-9H,2,10H2,1H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline has a molecular weight of 281.19 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline is sourced from PubChem (CID 62891798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).