(2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate

C11H8Cl2FN3O2 — CID 71911967

IUPAC(2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
SMILESCn1nccc1COC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C11H8Cl2FN3O2/c1-17-6(2-3-15-17)5-19-11(18)7-4-8(14)10(13)16-9(7)12/h2-4H,5H2,1H3
InChIKeyFZAHRHMUQDOLAD-UHFFFAOYSA-N
MW304.11 g/mol
LogP2.62
Rot. Bonds3

About (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate

(2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate (PubChem CID 71911967) has the molecular formula C11H8Cl2FN3O2 and a molecular weight of 304.11 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
PubChem CID71911967
Molecular FormulaC11H8Cl2FN3O2
Molecular Weight304.11 g/mol
Exact Mass303.00
IUPAC Name(2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
SMILESCn1nccc1COC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C11H8Cl2FN3O2/c1-17-6(2-3-15-17)5-19-11(18)7-4-8(14)10(13)16-9(7)12/h2-4H,5H2,1H3
InChIKeyFZAHRHMUQDOLAD-UHFFFAOYSA-N
XLogP2.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpyrazol-3-yl)ethyl 2-amino-4,5-difluorobenzoate
CID 103013618
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4-fluorobenzoate
CID 103013686
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4-chlorobenzoate
CID 103013544
2-(2-methylpyrazol-3-yl)ethyl 5-amino-2-chlorobenzoate
CID 103013522
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
CID 50896803
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
(3-ethyl-1-methylpyrazol-5-yl)methyl 4-amino-2,5-difluorobenzoate
CID 104700346
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024384
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone
CID 141317556
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 16528234

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate?
The IUPAC name of (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate (CID 71911967) is (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate?
The canonical SMILES for (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate is Cn1nccc1COC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate?
The InChIKey is FZAHRHMUQDOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2/c1-17-6(2-3-15-17)5-19-11(18)7-4-8(14)10(13)16-9(7)12/h2-4H,5H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate?
(2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate has a molecular weight of 304.11 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 71911967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).