N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide

C14H10ClF4N3O2 — CID 166452044

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C14H10ClF4N3O2/c1-24-11-4-7(2-3-10(11)16)13(23)22-21-12-9(15)5-8(6-20-12)14(17,18)19/h2-6H,1H3,(H,20,21)(H,22,23)
InChIKeyOYBRSQGTSNFORU-UHFFFAOYSA-N
MW363.70 g/mol
LogP3.66
Rot. Bonds4

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide (PubChem CID 166452044) has the molecular formula C14H10ClF4N3O2 and a molecular weight of 363.70 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide
PubChem CID166452044
Molecular FormulaC14H10ClF4N3O2
Molecular Weight363.70 g/mol
Exact Mass363.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)ccc1F
InChIInChI=1S/C14H10ClF4N3O2/c1-24-11-4-7(2-3-10(11)16)13(23)22-21-12-9(15)5-8(6-20-12)14(17,18)19/h2-6H,1H3,(H,20,21)(H,22,23)
InChIKeyOYBRSQGTSNFORU-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.70
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 154646117
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023
3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide
CID 137476979
4-benzoyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide
CID 1473209
1-[4-chloro-2-(trifluoromethyl)phenyl]-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 87687911
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250
N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
CID 81489117
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl] acetate
CID 3365466
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
1-(3-chloro-2-pyridinyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carbohydrazide
CID 69084526

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide (CID 166452044) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide is COc1cc(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)ccc1F.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide?
The InChIKey is OYBRSQGTSNFORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N3O2/c1-24-11-4-7(2-3-10(11)16)13(23)22-21-12-9(15)5-8(6-20-12)14(17,18)19/h2-6H,1H3,(H,20,21)(H,22,23).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide has a molecular weight of 363.70 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide is sourced from PubChem (CID 166452044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).