(2,3-dichlorophenyl)methanimine

C7H5Cl2N — CID 21094549

IUPAC(2,3-dichlorophenyl)methanimine
SMILES[H]/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-4,10H/b10-4+
InChIKeyHXTIHXGHXHSOBP-ONNFQVAWSA-N
MW174.03 g/mol
LogP2.99
Rot. Bonds1

About (2,3-dichlorophenyl)methanimine

(2,3-dichlorophenyl)methanimine (PubChem CID 21094549) has the molecular formula C7H5Cl2N and a molecular weight of 174.03 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methanimine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methanimine
PubChem CID21094549
Molecular FormulaC7H5Cl2N
Molecular Weight174.03 g/mol
Exact Mass172.98
IUPAC Name(2,3-dichlorophenyl)methanimine
SMILES[H]/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-4,10H/b10-4+
InChIKeyHXTIHXGHXHSOBP-ONNFQVAWSA-N
XLogP2.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methanimine?
The IUPAC name of (2,3-dichlorophenyl)methanimine (CID 21094549) is (2,3-dichlorophenyl)methanimine.
What is the SMILES notation for (2,3-dichlorophenyl)methanimine?
The canonical SMILES for (2,3-dichlorophenyl)methanimine is [H]/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methanimine?
The InChIKey is HXTIHXGHXHSOBP-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-4,10H/b10-4+.
What are the key properties of (2,3-dichlorophenyl)methanimine?
(2,3-dichlorophenyl)methanimine has a molecular weight of 174.03 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methanimine is sourced from PubChem (CID 21094549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).