1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol

C16H11ClN2O — CID 710273

IUPAC1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN2O/c17-12-6-8-16(18-9-12)19-10-14-13-4-2-1-3-11(13)5-7-15(14)20/h1-10,20H/b19-10+
InChIKeyMBTVWUYRVPSNKS-VXLYETTFSA-N
MW282.73 g/mol
LogP4.34
Rot. Bonds2

About 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol

1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol (PubChem CID 710273) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol
PubChem CID710273
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN2O/c17-12-6-8-16(18-9-12)19-10-14-13-4-2-1-3-11(13)5-7-15(14)20/h1-10,20H/b19-10+
InChIKeyMBTVWUYRVPSNKS-VXLYETTFSA-N
XLogP4.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol (CID 710273) is 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)cn1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
The InChIKey is MBTVWUYRVPSNKS-VXLYETTFSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-12-6-8-16(18-9-12)19-10-14-13-4-2-1-3-11(13)5-7-15(14)20/h1-10,20H/b19-10+.
What are the key properties of 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol?
1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol has a molecular weight of 282.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 710273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).