N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide

C13H9ClFN3O — CID 847586

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C13H9ClFN3O/c14-10-4-3-5-11(15)9(10)8-17-18-13(19)12-6-1-2-7-16-12/h1-8H,(H,18,19)
InChIKeyYESUNLOGEWVMSQ-UHFFFAOYSA-N
MW277.69 g/mol
LogP2.64
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 847586) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID847586
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1ccccn1
InChIInChI=1S/C13H9ClFN3O/c14-10-4-3-5-11(15)9(10)8-17-18-13(19)12-6-1-2-7-16-12/h1-8H,(H,18,19)
InChIKeyYESUNLOGEWVMSQ-UHFFFAOYSA-N
XLogP2.64
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5344234
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 1484920
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 6895269
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
CID 4980565
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657919

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide (CID 847586) is N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide is O=C(NN=Cc1c(F)cccc1Cl)c1ccccn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is YESUNLOGEWVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-10-4-3-5-11(15)9(10)8-17-18-13(19)12-6-1-2-7-16-12/h1-8H,(H,18,19).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 277.69 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 847586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).