3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide

C14H12ClF3N4O — CID 137476979

IUPAC3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide
SMILESCNc1ncc(C(F)(F)F)cc1NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClF3N4O/c1-19-12-11(6-9(7-20-12)14(16,17)18)21-22-13(23)8-3-2-4-10(15)5-8/h2-7,21H,1H3,(H,19,20)(H,22,23)
InChIKeyJFLSCHSUFVBGOL-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide

3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide (PubChem CID 137476979) has the molecular formula C14H12ClF3N4O and a molecular weight of 344.72 g/mol. Its IUPAC name is 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide
PubChem CID137476979
Molecular FormulaC14H12ClF3N4O
Molecular Weight344.72 g/mol
Exact Mass344.07
IUPAC Name3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide
SMILESCNc1ncc(C(F)(F)F)cc1NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClF3N4O/c1-19-12-11(6-9(7-20-12)14(16,17)18)21-22-13(23)8-3-2-4-10(15)5-8/h2-7,21H,1H3,(H,19,20)(H,22,23)
InChIKeyJFLSCHSUFVBGOL-UHFFFAOYSA-N
XLogP3.55
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide
CID 166452044
3-chloro-N'-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]benzohydrazide
CID 22532642
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
N'-tert-butyl-3-chlorobenzohydrazide
CID 15617772
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]-3-methylbenzamide
CID 3072238
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
1-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]isoquinoline-6-carboxamide
CID 135262487
4-benzoyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide
CID 1473209
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide (CID 137476979) is 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide is CNc1ncc(C(F)(F)F)cc1NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide?
The InChIKey is JFLSCHSUFVBGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O/c1-19-12-11(6-9(7-20-12)14(16,17)18)21-22-13(23)8-3-2-4-10(15)5-8/h2-7,21H,1H3,(H,19,20)(H,22,23).
What are the key properties of 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide?
3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide has a molecular weight of 344.72 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide is sourced from PubChem (CID 137476979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).