N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

C13H10ClFN4O2 — CID 77005380

IUPACN-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)Nc2cccc(Cl)c2F)nc1
InChIInChI=1S/C13H10ClFN4O2/c14-8-2-1-3-9(11(8)15)18-13(20)10-5-4-7(6-17-10)12(16)19-21/h1-6,21H,(H2,16,19)(H,18,20)
InChIKeyARYLBQKZOZQTHH-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.22
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide

N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (PubChem CID 77005380) has the molecular formula C13H10ClFN4O2 and a molecular weight of 308.70 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
PubChem CID77005380
Molecular FormulaC13H10ClFN4O2
Molecular Weight308.70 g/mol
Exact Mass308.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
SMILESNC(=NO)c1ccc(C(=O)Nc2cccc(Cl)c2F)nc1
InChIInChI=1S/C13H10ClFN4O2/c14-8-2-1-3-9(11(8)15)18-13(20)10-5-4-7(6-17-10)12(16)19-21/h1-6,21H,(H2,16,19)(H,18,20)
InChIKeyARYLBQKZOZQTHH-UHFFFAOYSA-N
XLogP2.22
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2-methylphenyl)-5-[(Z)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 107637319
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
5-(N'-hydroxycarbamimidoyl)-N-methylpyridine-2-carboxamide
CID 77005050
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
5-(N'-hydroxycarbamimidoyl)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 77005091
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
(3-chloro-2-fluorophenyl)urea
CID 28969166
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
4-[(3-chloro-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029574
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638
N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166291

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide (CID 77005380) is N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is NC(=NO)c1ccc(C(=O)Nc2cccc(Cl)c2F)nc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
The InChIKey is ARYLBQKZOZQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O2/c14-8-2-1-3-9(11(8)15)18-13(20)10-5-4-7(6-17-10)12(16)19-21/h1-6,21H,(H2,16,19)(H,18,20).
What are the key properties of N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide?
N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide has a molecular weight of 308.70 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide is sourced from PubChem (CID 77005380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).