N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide

C19H14ClFN4O3 — CID 55791759

IUPACN'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Nc1cccc(F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClFN4O3/c20-11-6-7-16(26)15(9-11)19(28)25-24-18(27)14-5-2-8-22-17(14)23-13-4-1-3-12(21)10-13/h1-10,26H,(H,22,23)(H,24,27)(H,25,28)
InChIKeyGECOMLREKCMLAU-UHFFFAOYSA-N
MW400.80 g/mol
LogP3.40
Rot. Bonds4

About N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide

N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide (PubChem CID 55791759) has the molecular formula C19H14ClFN4O3 and a molecular weight of 400.80 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide
PubChem CID55791759
Molecular FormulaC19H14ClFN4O3
Molecular Weight400.80 g/mol
Exact Mass400.07
IUPAC NameN'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Nc1cccc(F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClFN4O3/c20-11-6-7-16(26)15(9-11)19(28)25-24-18(27)14-5-2-8-22-17(14)23-13-4-1-3-12(21)10-13/h1-10,26H,(H,22,23)(H,24,27)(H,25,28)
InChIKeyGECOMLREKCMLAU-UHFFFAOYSA-N
XLogP3.40
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
CID 166362766
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
2-(3-fluoroanilino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
CID 56573762

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide (CID 55791759) is N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1Nc1cccc(F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide?
The InChIKey is GECOMLREKCMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3/c20-11-6-7-16(26)15(9-11)19(28)25-24-18(27)14-5-2-8-22-17(14)23-13-4-1-3-12(21)10-13/h1-10,26H,(H,22,23)(H,24,27)(H,25,28).
What are the key properties of N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide?
N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide has a molecular weight of 400.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxybenzoyl)-2-(3-fluoroanilino)pyridine-3-carbohydrazide is sourced from PubChem (CID 55791759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).