N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide

C14H10Cl2FN3O — CID 8971589

IUPACN-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl2FN3O/c1-8(12-9(15)5-6-10(17)13(12)16)19-20-14(21)11-4-2-3-7-18-11/h2-7H,1H3,(H,20,21)/b19-8-
InChIKeyGKKADDTWXQFCGD-UWVJOHFNSA-N
MW326.16 g/mol
LogP3.68
Rot. Bonds3

About N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide

N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 8971589) has the molecular formula C14H10Cl2FN3O and a molecular weight of 326.16 g/mol. Its IUPAC name is N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID8971589
Molecular FormulaC14H10Cl2FN3O
Molecular Weight326.16 g/mol
Exact Mass325.02
IUPAC NameN-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl2FN3O/c1-8(12-9(15)5-6-10(17)13(12)16)19-20-14(21)11-4-2-3-7-18-11/h2-7H,1H3,(H,20,21)/b19-8-
InChIKeyGKKADDTWXQFCGD-UWVJOHFNSA-N
XLogP3.68
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 6941486
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
CID 7350198
3-chloro-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032250
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide (CID 8971589) is N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide is C/C(=N/NC(=O)c1ccccn1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is GKKADDTWXQFCGD-UWVJOHFNSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O/c1-8(12-9(15)5-6-10(17)13(12)16)19-20-14(21)11-4-2-3-7-18-11/h2-7H,1H3,(H,20,21)/b19-8-.
What are the key properties of N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide?
N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 326.16 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 8971589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).