N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

C13H12ClFN4O — CID 62533307

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H12ClFN4O/c14-9-6-8(4-5-10(9)15)7-17-13(20)11-2-1-3-12(18-11)19-16/h1-6H,7,16H2,(H,17,20)(H,18,19)
InChIKeyCOKOVMNPHPAHOP-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.09
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62533307) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
PubChem CID62533307
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1cccc(C(=O)NCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H12ClFN4O/c14-9-6-8(4-5-10(9)15)7-17-13(20)11-2-1-3-12(18-11)19-16/h1-6H,7,16H2,(H,17,20)(H,18,19)
InChIKeyCOKOVMNPHPAHOP-UHFFFAOYSA-N
XLogP2.09
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62235842
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824245
6-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbothioamide
CID 64596457
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 162338345
6-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098377
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237588
6-hydrazinyl-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 63248051

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (CID 62533307) is N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is NNc1cccc(C(=O)NCc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is COKOVMNPHPAHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c14-9-6-8(4-5-10(9)15)7-17-13(20)11-2-1-3-12(18-11)19-16/h1-6H,7,16H2,(H,17,20)(H,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62533307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).