2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid

C18H26F3N3O2 — CID 175963003

IUPAC2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nc(NNCC2CCC(C(F)(F)F)CC2)ccc1C(=O)O
InChIInChI=1S/C18H26F3N3O2/c1-17(2,3)15-13(16(25)26)8-9-14(23-15)24-22-10-11-4-6-12(7-5-11)18(19,20)21/h8-9,11-12,22H,4-7,10H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyLDVBKIQCESKDSV-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.36
Rot. Bonds5

About 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid

2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid (PubChem CID 175963003) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid
PubChem CID175963003
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)c1nc(NNCC2CCC(C(F)(F)F)CC2)ccc1C(=O)O
InChIInChI=1S/C18H26F3N3O2/c1-17(2,3)15-13(16(25)26)8-9-14(23-15)24-22-10-11-4-6-12(7-5-11)18(19,20)21/h8-9,11-12,22H,4-7,10H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyLDVBKIQCESKDSV-UHFFFAOYSA-N
XLogP4.36
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.36
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

6-Amino-2-ethylpyridine-3-carboxylic acid
CID 22019116
6-(4-Methylphenyl)-2-(2-methylpropylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 59487417
2-Methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid
CID 67286940
6-Amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 67731154
2-methyl-6-[[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67980698
2-Methyl-6-[[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67980700
6-Amino-2-(trifluoromethyl)nicotinic acid
CID 72211954
2-[(2-Methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876825
2-But-2-en-2-yl-6-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 91168763
6-(2,6-Difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid
CID 91186579
2-[2-(Phenylcarbamoyl)hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121267742
2-Hydrazinyl-6-(trifluoromethyl)nicotinic acid
CID 140288550

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid (CID 175963003) is 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid is CC(C)(C)c1nc(NNCC2CCC(C(F)(F)F)CC2)ccc1C(=O)O.
What is the InChIKey of 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid?
The InChIKey is LDVBKIQCESKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-17(2,3)15-13(16(25)26)8-9-14(23-15)24-22-10-11-4-6-12(7-5-11)18(19,20)21/h8-9,11-12,22H,4-7,10H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid?
2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid has a molecular weight of 373.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-[[4-(trifluoromethyl)cyclohexyl]methyl]hydrazinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 175963003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).