4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol

C12H8Cl2N2O — CID 136603827

IUPAC4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/C12H8Cl2N2O/c13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14/h1-7,17H/b16-7+
InChIKeyJCPMUOBVOVMCTP-FRKPEAEDSA-N
MW267.12 g/mol
LogP3.84
Rot. Bonds2

About 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol

4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol (PubChem CID 136603827) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
PubChem CID136603827
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/C12H8Cl2N2O/c13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14/h1-7,17H/b16-7+
InChIKeyJCPMUOBVOVMCTP-FRKPEAEDSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
6-(4-Chloro-2-methylphenoxy)pyridin-3-amine
CID 2800143
4-Chloro-2-[(quinolin-8-ylamino)methyl]phenol
CID 950852
4-[5-[(4-Chlorophenyl)methylamino]-3-pyridinyl]phenol
CID 11666742
2,4-dichloro-6-{(E)-[(5-methylpyridin-2-yl)imino]methyl}phenol
CID 914307
4-Chloro-2-[[(6-chloro-3-pyridinyl)methylamino]methyl]phenol;hydrochloride
CID 56603520
4-Chloro-2-[(pyridin-4-ylmethylamino)methyl]phenol;hydrochloride
CID 56603521
4-Chloro-2-[(quinolin-3-ylamino)methyl]phenol
CID 950814
2-[(2-Chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol
CID 2346694
2-((1E)-2-(4-pyridyl)vinyl)phenol
CID 642824
Alpha-methyl-alpha-(3-pyridylmethylimino)-O-cresol
CID 2731177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol (CID 136603827) is 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/c1cccnc1Cl.
What is the InChIKey of 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
The InChIKey is JCPMUOBVOVMCTP-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14/h1-7,17H/b16-7+.
What are the key properties of 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol has a molecular weight of 267.12 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 136603827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).