5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine

C16H10ClF4N3O2 — CID 166728803

IUPAC5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine
SMILESCOc1cccc(Oc2ncc(Cl)cc2F)c1-c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C16H10ClF4N3O2/c1-25-11-3-2-4-12(26-15-10(18)5-8(17)6-22-15)13(11)14-9(7-23-24-14)16(19,20)21/h2-7H,1H3,(H,23,24)
InChIKeyRHJTYWJGEKRVPZ-UHFFFAOYSA-N
MW387.72 g/mol
LogP5.08
Rot. Bonds4

About 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine

5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine (PubChem CID 166728803) has the molecular formula C16H10ClF4N3O2 and a molecular weight of 387.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine
PubChem CID166728803
Molecular FormulaC16H10ClF4N3O2
Molecular Weight387.72 g/mol
Exact Mass387.04
IUPAC Name5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine
SMILESCOc1cccc(Oc2ncc(Cl)cc2F)c1-c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C16H10ClF4N3O2/c1-25-11-3-2-4-12(26-15-10(18)5-8(17)6-22-15)13(11)14-9(7-23-24-14)16(19,20)21/h2-7H,1H3,(H,23,24)
InChIKeyRHJTYWJGEKRVPZ-UHFFFAOYSA-N
XLogP5.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine (CID 166728803) is 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine is COc1cccc(Oc2ncc(Cl)cc2F)c1-c1[nH]ncc1C(F)(F)F.
What is the InChIKey of 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine?
The InChIKey is RHJTYWJGEKRVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3O2/c1-25-11-3-2-4-12(26-15-10(18)5-8(17)6-22-15)13(11)14-9(7-23-24-14)16(19,20)21/h2-7H,1H3,(H,23,24).
What are the key properties of 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine?
5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine has a molecular weight of 387.72 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine is sourced from PubChem (CID 166728803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).