4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine

C10H8ClF2N3 — CID 121210897

IUPAC4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine
SMILESFC(F)n1nc(-c2ccncc2)cc1CCl
InChIInChI=1S/C10H8ClF2N3/c11-6-8-5-9(15-16(8)10(12)13)7-1-3-14-4-2-7/h1-5,10H,6H2
InChIKeyWJKMVXMTCFCCER-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.08
Rot. Bonds3

About 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine

4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine (PubChem CID 121210897) has the molecular formula C10H8ClF2N3 and a molecular weight of 243.64 g/mol. Its IUPAC name is 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine
PubChem CID121210897
Molecular FormulaC10H8ClF2N3
Molecular Weight243.64 g/mol
Exact Mass243.04
IUPAC Name4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine
SMILESFC(F)n1nc(-c2ccncc2)cc1CCl
InChIInChI=1S/C10H8ClF2N3/c11-6-8-5-9(15-16(8)10(12)13)7-1-3-14-4-2-7/h1-5,10H,6H2
InChIKeyWJKMVXMTCFCCER-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.08
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

1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210919
1-propan-2-yl-3-pyridin-4-ylpyrazol-5-amine
CID 67496076
5-(chloromethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
CID 21082224
4-(chloromethyl)-2,6-dipyridin-4-ylpyridine
CID 118828222
1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
CID 121210948
(5-methyl-3-pyridin-4-ylpyrazol-1-yl)methanol
CID 121211815
3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70546309
1-methyl-6-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 121214917
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
1-(difluoromethyl)-3-pyridin-3-ylpyrazole-5-carboxamide
CID 121210823
7-chloro-2-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 18446635
4-[4-(chloromethyl)-3-fluorophenyl]pyridine
CID 46315648

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine (CID 121210897) is 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine is FC(F)n1nc(-c2ccncc2)cc1CCl.
What is the InChIKey of 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine?
The InChIKey is WJKMVXMTCFCCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3/c11-6-8-5-9(15-16(8)10(12)13)7-1-3-14-4-2-7/h1-5,10H,6H2.
What are the key properties of 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine?
4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine has a molecular weight of 243.64 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)-1-(difluoromethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 121210897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).