6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

C17H16BrF3N2O3 — CID 170701335

IUPAC6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESC[C@H](CCO)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(Br)n1
InChIInChI=1S/C17H16BrF3N2O3/c1-10(8-9-24)22-16(25)13-6-7-14(15(18)23-13)26-12-4-2-11(3-5-12)17(19,20)21/h2-7,10,24H,8-9H2,1H3,(H,22,25)/t10-/m1/s1
InChIKeyHDBWHQCUYFBDDC-SNVBAGLBSA-N
MW433.22 g/mol
LogP4.16
Rot. Bonds6

About 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (PubChem CID 170701335) has the molecular formula C17H16BrF3N2O3 and a molecular weight of 433.22 g/mol. Its IUPAC name is 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
PubChem CID170701335
Molecular FormulaC17H16BrF3N2O3
Molecular Weight433.22 g/mol
Exact Mass432.03
IUPAC Name6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESC[C@H](CCO)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(Br)n1
InChIInChI=1S/C17H16BrF3N2O3/c1-10(8-9-24)22-16(25)13-6-7-14(15(18)23-13)26-12-4-2-11(3-5-12)17(19,20)21/h2-7,10,24H,8-9H2,1H3,(H,22,25)/t10-/m1/s1
InChIKeyHDBWHQCUYFBDDC-SNVBAGLBSA-N
XLogP4.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-6-(1-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 170701223
2-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]propanoic acid
CID 154305561
N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214032
N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 170701239
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
[5-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]boronic acid
CID 170701106
N-[(2R)-1-hydroxypropan-2-yl]-5-(6-methyl-2-pyridinyl)-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 170701261
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-(4-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 81041108
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (CID 170701335) is 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is C[C@H](CCO)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(Br)n1.
What is the InChIKey of 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The InChIKey is HDBWHQCUYFBDDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16BrF3N2O3/c1-10(8-9-24)22-16(25)13-6-7-14(15(18)23-13)26-12-4-2-11(3-5-12)17(19,20)21/h2-7,10,24H,8-9H2,1H3,(H,22,25)/t10-/m1/s1.
What are the key properties of 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide has a molecular weight of 433.22 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2R)-4-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 170701335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).