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

C10H8F3N3O — CID 20807385

IUPAC4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C10H8F3N3O/c1-17-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKeyMOLINXPWYYYPRS-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.50
Rot. Bonds2

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

4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 20807385) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID20807385
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C10H8F3N3O/c1-17-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKeyMOLINXPWYYYPRS-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(5-pyridin-4-yl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 10658091
3-methyl-4-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c]pyridine
CID 155545122
5-phenoxy-2-(1H-pyrazol-5-yl)pyridine
CID 177376368
5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxypyridine
CID 56701368
N-(1H-pyrazol-5-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
CID 72147416
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methoxypyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 91830724
2-{[4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}-4-methoxypyridine
CID 91836944
(5-pyridin-2-yl-1H-pyrazol-3-yl) methanesulfonate
CID 127050638
(5-pyridin-2-yl-1H-pyrazol-3-yl) 4-methoxybenzenesulfonate
CID 127050940
4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 11492914
2-[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
CID 17757491
2-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]pyridine
CID 17757493

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 20807385) is 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is COc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is MOLINXPWYYYPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c1-17-6-2-3-14-7(4-6)8-5-9(16-15-8)10(11,12)13/h2-5H,1H3,(H,15,16).
What are the key properties of 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 243.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 20807385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).