2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

C16H15ClF3N3O3 — CID 134393588

IUPAC2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCC(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C1(C(F)(F)F)CC1
InChIInChI=1S/C16H15ClF3N3O3/c1-9(15(5-6-15)16(18,19)20)8-26-12-4-7-23(22-12)11-3-2-10(14(24)25)13(17)21-11/h2-4,7,9H,5-6,8H2,1H3,(H,24,25)
InChIKeyKRNWFAXKSWDDOV-UHFFFAOYSA-N
MW389.76 g/mol
LogP3.98
Rot. Bonds6

About 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 134393588) has the molecular formula C16H15ClF3N3O3 and a molecular weight of 389.76 g/mol. Its IUPAC name is 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID134393588
Molecular FormulaC16H15ClF3N3O3
Molecular Weight389.76 g/mol
Exact Mass389.08
IUPAC Name2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCC(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C1(C(F)(F)F)CC1
InChIInChI=1S/C16H15ClF3N3O3/c1-9(15(5-6-15)16(18,19)20)8-26-12-4-7-23(22-12)11-3-2-10(14(24)25)13(17)21-11/h2-4,7,9H,5-6,8H2,1H3,(H,24,25)
InChIKeyKRNWFAXKSWDDOV-UHFFFAOYSA-N
XLogP3.98
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 134393588) is 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is CC(COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1)C1(C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is KRNWFAXKSWDDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3/c1-9(15(5-6-15)16(18,19)20)8-26-12-4-7-23(22-12)11-3-2-10(14(24)25)13(17)21-11/h2-4,7,9H,5-6,8H2,1H3,(H,24,25).
What are the key properties of 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?
2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 389.76 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 134393588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).