2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride — IUPAC name, SMILES, InChIKey & properties

Name: 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride

2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride (PubChem CID 160641913) has the molecular formula C50H52Cl10F3N13O5 and a molecular weight of 1326.58 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride.

Molecular Properties

Compound Name	2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride
PubChem CID	160641913
Molecular Formula	C50H52Cl10F3N13O5
Molecular Weight	1326.58 g/mol
Exact Mass	1321.11
IUPAC Name	2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride
SMILES	CCOC(=O)c1[nH]ncc1C.CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)n2)cc1C.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CF.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CO.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1
InChI	InChI=1S/C12H11Cl2N3O2.C10H8Cl2FN3.C10H9Cl2N3O.C7H10N2O2.C6H11F2N.C5H2Cl3N.ClH/c1-3-19-12(18)11-7(2)6-17(16-11)10-5-8(13)4-9(14)15-10;1-6-5-16(15-8(6)4-13)10-3-7(11)2-9(12)14-10;1-6-4-15(14-8(6)5-16)10-3-7(11)2-9(12)13-10;1-3-11-7(10)6-5(2)4-8-9-6;7-6(8)3-1-5(9)2-4-6;6-3-1-4(7)9-5(8)2-3;/h4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;2-4,16H,5H2,1H3;4H,3H2,1-2H3,(H,8,9);5H,1-4,9H2;1-2H;1H
InChIKey	MTGZKBSKSPWSBX-UHFFFAOYSA-N
XLogP	14.67
TPSA	232.55 Å²
H-Bond Donors	3
H-Bond Acceptors	17
Rotatable Bonds	9
Heavy Atoms	81
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1326.58
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride?

The IUPAC name of 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride (CID 160641913) is 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride.

What is the SMILES notation for 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride?

The canonical SMILES for 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride is CCOC(=O)c1[nH]ncc1C.CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)n2)cc1C.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CF.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CO.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.

What is the InChIKey of 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride?

The InChIKey is MTGZKBSKSPWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2.C10H8Cl2FN3.C10H9Cl2N3O.C7H10N2O2.C6H11F2N.C5H2Cl3N.ClH/c1-3-19-12(18)11-7(2)6-17(16-11)10-5-8(13)4-9(14)15-10;1-6-5-16(15-8(6)4-13)10-3-7(11)2-9(12)14-10;1-6-4-15(14-8(6)5-16)10-3-7(11)2-9(12)13-10;1-3-11-7(10)6-5(2)4-8-9-6;7-6(8)3-1-5(9)2-4-6;6-3-1-4(7)9-5(8)2-3;/h4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;2-4,16H,5H2,1H3;4H,3H2,1-2H3,(H,8,9);5H,1-4,9H2;1-2H;1H.

What are the key properties of 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride?

Where does this data come from?

All data for 2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride is sourced from PubChem (CID 160641913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).