N-butyl-2,5-dichloropyridine-3-carbohydrazide

C10H13Cl2N3O — CID 24827421

IUPACN-butyl-2,5-dichloropyridine-3-carbohydrazide
SMILESCCCCN(N)C(=O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-2-3-4-15(13)10(16)8-5-7(11)6-14-9(8)12/h5-6H,2-4,13H2,1H3
InChIKeyGUIAGUHFOMOBTJ-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.50
Rot. Bonds4

About N-butyl-2,5-dichloropyridine-3-carbohydrazide

N-butyl-2,5-dichloropyridine-3-carbohydrazide (PubChem CID 24827421) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is N-butyl-2,5-dichloropyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-butyl-2,5-dichloropyridine-3-carbohydrazide
PubChem CID24827421
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC NameN-butyl-2,5-dichloropyridine-3-carbohydrazide
SMILESCCCCN(N)C(=O)c1cc(Cl)cnc1Cl
InChIInChI=1S/C10H13Cl2N3O/c1-2-3-4-15(13)10(16)8-5-7(11)6-14-9(8)12/h5-6H,2-4,13H2,1H3
InChIKeyGUIAGUHFOMOBTJ-UHFFFAOYSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
butyl 2-butoxy-5-chloropyridine-3-carboxylate
CID 91664640
5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 114046044
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
CID 116556739
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
N-butylthiophene-2-carbohydrazide
CID 54350563
5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2800027
6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
CID 55042069

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,5-dichloropyridine-3-carbohydrazide?
The IUPAC name of N-butyl-2,5-dichloropyridine-3-carbohydrazide (CID 24827421) is N-butyl-2,5-dichloropyridine-3-carbohydrazide.
What is the SMILES notation for N-butyl-2,5-dichloropyridine-3-carbohydrazide?
The canonical SMILES for N-butyl-2,5-dichloropyridine-3-carbohydrazide is CCCCN(N)C(=O)c1cc(Cl)cnc1Cl.
What is the InChIKey of N-butyl-2,5-dichloropyridine-3-carbohydrazide?
The InChIKey is GUIAGUHFOMOBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-2-3-4-15(13)10(16)8-5-7(11)6-14-9(8)12/h5-6H,2-4,13H2,1H3.
What are the key properties of N-butyl-2,5-dichloropyridine-3-carbohydrazide?
N-butyl-2,5-dichloropyridine-3-carbohydrazide has a molecular weight of 262.14 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-dichloropyridine-3-carbohydrazide is sourced from PubChem (CID 24827421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).