5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid

C13H8Cl2N2O2 — CID 23456652

IUPAC5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H8Cl2N2O2/c14-10-3-1-8(5-11(10)15)6-16-9-2-4-12(13(18)19)17-7-9/h1-7H,(H,18,19)/b16-6+
InChIKeyIUJSKWAFKQGZRN-OMCISZLKSA-N
MW295.13 g/mol
LogP3.84
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid

5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid (PubChem CID 23456652) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.13 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid
PubChem CID23456652
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.13 g/mol
Exact Mass294.00
IUPAC Name5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H8Cl2N2O2/c14-10-3-1-8(5-11(10)15)6-16-9-2-4-12(13(18)19)17-7-9/h1-7H,(H,18,19)/b16-6+
InChIKeyIUJSKWAFKQGZRN-OMCISZLKSA-N
XLogP3.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.84
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

4,5-Dichloro-2-[(3-pyridinylamino)carbonyl]benzoic acid
CID 747620
1-(3-chloro-2-fluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 21892200
4-(3,4-Dichlorophenyl)picolinic acid
CID 23445016
2-(3,4-Dichlorophenyl)isonicotinic acid
CID 23445120
1-[(3-chlorophenyl)methyl]pyrrole-2-carboxylic Acid
CID 5071702
N'-{[(3,4-dichlorophenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9587020
1-[(2,3-Dichlorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 21892230
1-[(4-chlorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
CID 4120055
3,4-Dichlorobenzyl picolinate
CID 2214216
1-[(4-Chloro-2,6-difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 45483851
3-Benzamido-5-chloropyridine-2-carboxylic acid
CID 162676309
5-(Benzylamino)pyridine-2-carboxylic acid
CID 12640163

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid (CID 23456652) is 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid?
The InChIKey is IUJSKWAFKQGZRN-OMCISZLKSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-10-3-1-8(5-11(10)15)6-16-9-2-4-12(13(18)19)17-7-9/h1-7H,(H,18,19)/b16-6+.
What are the key properties of 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid?
5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid has a molecular weight of 295.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 23456652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).