N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine

C18H13ClN2O — CID 23732027

IUPACN-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine
SMILESClc1ncccc1/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H13ClN2O/c19-18-17(10-5-11-20-18)21-13-14-6-4-9-16(12-14)22-15-7-2-1-3-8-15/h1-13H/b21-13+
InChIKeyYNLYDZMJKGUBCY-FYJGNVAPSA-N
MW308.77 g/mol
LogP5.28
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine

N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine (PubChem CID 23732027) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine
PubChem CID23732027
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine
SMILESClc1ncccc1/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H13ClN2O/c19-18-17(10-5-11-20-18)21-13-14-6-4-9-16(12-14)22-15-7-2-1-3-8-15/h1-13H/b21-13+
InChIKeyYNLYDZMJKGUBCY-FYJGNVAPSA-N
XLogP5.28
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.28
H-Bond Donors ≤ 50
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

1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine
CID 24898173
(3-pyridin-2-yloxyphenyl)methylidenehydrazine
CID 168530003
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-phenoxyphenyl)methanimine
CID 3242741
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
CID 23903931
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine?
The IUPAC name of N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine (CID 23732027) is N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine is Clc1ncccc1/N=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine?
The InChIKey is YNLYDZMJKGUBCY-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-18-17(10-5-11-20-18)21-13-14-6-4-9-16(12-14)22-15-7-2-1-3-8-15/h1-13H/b21-13+.
What are the key properties of N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine?
N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine has a molecular weight of 308.77 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine is sourced from PubChem (CID 23732027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).