5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine

C10H7BrF3N3 — CID 107086174

IUPAC5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1cnn(-c2ccc(CBr)cn2)c1
InChIInChI=1S/C10H7BrF3N3/c11-3-7-1-2-9(15-4-7)17-6-8(5-16-17)10(12,13)14/h1-2,4-6H,3H2
InChIKeyMFPWTONXVVLYFD-UHFFFAOYSA-N
MW306.09 g/mol
LogP3.18
Rot. Bonds2

About 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine

5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 107086174) has the molecular formula C10H7BrF3N3 and a molecular weight of 306.09 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID107086174
Molecular FormulaC10H7BrF3N3
Molecular Weight306.09 g/mol
Exact Mass304.98
IUPAC Name5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1cnn(-c2ccc(CBr)cn2)c1
InChIInChI=1S/C10H7BrF3N3/c11-3-7-1-2-9(15-4-7)17-6-8(5-16-17)10(12,13)14/h1-2,4-6H,3H2
InChIKeyMFPWTONXVVLYFD-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
CID 164655777
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811
5-bromo-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 166174831
5-(chloromethyl)-2-(4-chloropyrazol-1-yl)pyridine
CID 61255157
[6-(4-chloropyrazol-1-yl)-3-pyridinyl]methanol
CID 61255001
[ethenyl-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]amino]methylidenenickel
CID 170964550
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868324
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751868
ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 142831358
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80902981
5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine
CID 59218632
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 107086174) is 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine is FC(F)(F)c1cnn(-c2ccc(CBr)cn2)c1.
What is the InChIKey of 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is MFPWTONXVVLYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3/c11-3-7-1-2-9(15-4-7)17-6-8(5-16-17)10(12,13)14/h1-2,4-6H,3H2.
What are the key properties of 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 306.09 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 107086174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).