3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide

C14H14ClFN4O — CID 62248726

IUPAC3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(NN)ccc1Cl)c1ccccc1F
InChIInChI=1S/C14H14ClFN4O/c1-2-20(11-6-4-3-5-10(11)16)14(21)13-9(15)7-8-12(18-13)19-17/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyTWKLSYCOQQYSNR-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.83
Rot. Bonds4

About 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62248726) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
PubChem CID62248726
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(NN)ccc1Cl)c1ccccc1F
InChIInChI=1S/C14H14ClFN4O/c1-2-20(11-6-4-3-5-10(11)16)14(21)13-9(15)7-8-12(18-13)19-17/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyTWKLSYCOQQYSNR-UHFFFAOYSA-N
XLogP2.83
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.83
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide (CID 62248726) is 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide is CCN(C(=O)c1nc(NN)ccc1Cl)c1ccccc1F.
What is the InChIKey of 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is TWKLSYCOQQYSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c1-2-20(11-6-4-3-5-10(11)16)14(21)13-9(15)7-8-12(18-13)19-17/h3-8H,2,17H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62248726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).