hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

C11H16F3N3O3 — CID 174907680

IUPAChydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOCCCc1cc(C(F)(F)F)cnc1C(=O)O.NN
InChIInChI=1S/C11H12F3NO3.H4N2/c1-18-4-2-3-7-5-8(11(12,13)14)6-15-9(7)10(16)17;1-2/h5-6H,2-4H2,1H3,(H,16,17);1-2H2
InChIKeyUMSFGNBCOZQXDL-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.20
Rot. Bonds5

About hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 174907680) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Namehydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID174907680
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Namehydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOCCCc1cc(C(F)(F)F)cnc1C(=O)O.NN
InChIInChI=1S/C11H12F3NO3.H4N2/c1-18-4-2-3-7-5-8(11(12,13)14)6-15-9(7)10(16)17;1-2/h5-6H,2-4H2,1H3,(H,16,17);1-2H2
InChIKeyUMSFGNBCOZQXDL-UHFFFAOYSA-N
XLogP1.20
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl N-(3-methoxypropyl)carbamate
CID 86617748
3-methylsulfinyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 76963351
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
ethyl 3-(2-oxoethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461725
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540
3-butyl-5-(trifluoromethyl)pyridin-2-amine
CID 150650764
ethyl 2-[2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096484
2-[2-acetyl-5-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 126498057
ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461260
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628
ethyl 3-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133096652

Frequently Asked Questions

What is the IUPAC name of hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 174907680) is hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is COCCCc1cc(C(F)(F)F)cnc1C(=O)O.NN.
What is the InChIKey of hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is UMSFGNBCOZQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3.H4N2/c1-18-4-2-3-7-5-8(11(12,13)14)6-15-9(7)10(16)17;1-2/h5-6H,2-4H2,1H3,(H,16,17);1-2H2.
What are the key properties of hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 295.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;3-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 174907680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).