5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol

C19H13Cl3N2O — CID 149334997

IUPAC5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol
SMILESOc1cncc(Cl)c1C/N=C/c1ccccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl3N2O/c20-15-6-3-7-16(21)19(15)13-5-2-1-4-12(13)8-23-9-14-17(22)10-24-11-18(14)25/h1-8,10-11,25H,9H2/b23-8+
InChIKeyYDBIMTOIXZFOMR-LIMNOBDPSA-N
MW391.69 g/mol
LogP6.03
Rot. Bonds4

About 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol

5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol (PubChem CID 149334997) has the molecular formula C19H13Cl3N2O and a molecular weight of 391.69 g/mol. Its IUPAC name is 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol
PubChem CID149334997
Molecular FormulaC19H13Cl3N2O
Molecular Weight391.69 g/mol
Exact Mass390.01
IUPAC Name5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol
SMILESOc1cncc(Cl)c1C/N=C/c1ccccc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl3N2O/c20-15-6-3-7-16(21)19(15)13-5-2-1-4-12(13)8-23-9-14-17(22)10-24-11-18(14)25/h1-8,10-11,25H,9H2/b23-8+
InChIKeyYDBIMTOIXZFOMR-LIMNOBDPSA-N
XLogP6.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.69
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzyliminomethyl)-6-chlorophenol
CID 165349196
2-[3-chloro-5-(2,6-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088007
2-[(3-chlorophenyl)methyliminomethyl]phenol
CID 135629536
2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
CID 131117865
N-[(4-chlorophenyl)methyl]-1-[2-(2,3,4,5,6-pentafluorophenyl)phenyl]methanimine
CID 101489818
3-chloro-2-(2-chlorophenyl)phenol
CID 69117513
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
4-(bromomethyl)-3-chloro-5-(2-fluorophenyl)pyridine
CID 118799577
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride
CID 173433912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol?
The IUPAC name of 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol (CID 149334997) is 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol?
The canonical SMILES for 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol is Oc1cncc(Cl)c1C/N=C/c1ccccc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol?
The InChIKey is YDBIMTOIXZFOMR-LIMNOBDPSA-N. The full InChI is InChI=1S/C19H13Cl3N2O/c20-15-6-3-7-16(21)19(15)13-5-2-1-4-12(13)8-23-9-14-17(22)10-24-11-18(14)25/h1-8,10-11,25H,9H2/b23-8+.
What are the key properties of 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol?
5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol has a molecular weight of 391.69 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[[2-(2,6-dichlorophenyl)phenyl]methylideneamino]methyl]pyridin-3-ol is sourced from PubChem (CID 149334997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).