2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol

C16H18ClN3O — CID 2346694

IUPAC2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2cccnc2Cl)c(O)c1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)13-8-7-12(15(21)10-13)11-19-14-6-5-9-18-16(14)17/h5-11,21H,3-4H2,1-2H3/b19-11+
InChIKeyHCJUYMLKHBNJKW-YBFXNURJSA-N
MW303.79 g/mol
LogP4.04
Rot. Bonds5

About 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol

2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol (PubChem CID 2346694) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol
PubChem CID2346694
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/C=N/c2cccnc2Cl)c(O)c1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)13-8-7-12(15(21)10-13)11-19-14-6-5-9-18-16(14)17/h5-11,21H,3-4H2,1-2H3/b19-11+
InChIKeyHCJUYMLKHBNJKW-YBFXNURJSA-N
XLogP4.04
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol (CID 2346694) is 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/C=N/c2cccnc2Cl)c(O)c1.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol?
The InChIKey is HCJUYMLKHBNJKW-YBFXNURJSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-20(4-2)13-8-7-12(15(21)10-13)11-19-14-6-5-9-18-16(14)17/h5-11,21H,3-4H2,1-2H3/b19-11+.
What are the key properties of 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol?
2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol has a molecular weight of 303.79 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol is sourced from PubChem (CID 2346694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).