3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine — IUPAC name, SMILES, InChIKey & properties

Name: 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine

3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine (PubChem CID 157098746) has the molecular formula C97H117Cl2F4N19O and a molecular weight of 1712.03 g/mol. Its IUPAC name is 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine.

Molecular Properties

Compound Name	3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine
PubChem CID	157098746
Molecular Formula	C97H117Cl2F4N19O
Molecular Weight	1712.03 g/mol
Exact Mass	1709.90
IUPAC Name	3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine
SMILES	COc1ccc(C)cn1.Cc1cc(C)nc(C)n1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)nn1.Cc1ccc(N(C)C)nc1.Cc1cccc(Cl)n1.Cc1cccc(F)n1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1ccncc1.Cc1ccncn1.Cc1cncc(C)c1
InChI	InChI=1S/C8H12N2.C7H6F3N.C7H10N2.C7H9NO.4C7H9N.C6H6ClN.C6H6FN.3C6H7N.C5H5ClN2.C5H6N2/c1-7-4-5-8(9-6-7)10(2)3;1-5-2-3-6(4-11-5)7(8,9)10;1-5-4-6(2)9-7(3)8-5;1-6-3-4-7(9-2)8-5-6;1-6-3-7(2)5-8-4-6;21-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;21-5-3-2-4-6(7)8-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-2-3-5(6)8-7-4;1-5-2-3-6-4-7-5/h4-6H,1-3H3;2-4H,1H3;4H,1-3H3;3-5H,1-2H3;43-5H,1-2H3;22-4H,1H3;3*2-5H,1H3;2-3H,1H3;2-4H,1H3
InChIKey	AFNAHOJSSQMPQL-UHFFFAOYSA-N
XLogP	23.43
TPSA	244.49 Å²
H-Bond Donors
H-Bond Acceptors	20
Rotatable Bonds	2
Heavy Atoms	123
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.03
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Analyze 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine 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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine?

The IUPAC name of 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine (CID 157098746) is 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine.

What is the SMILES notation for 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine?

The canonical SMILES for 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine is COc1ccc(C)cn1.Cc1cc(C)nc(C)n1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(Cl)nn1.Cc1ccc(N(C)C)nc1.Cc1cccc(Cl)n1.Cc1cccc(F)n1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1ccncc1.Cc1ccncn1.Cc1cncc(C)c1.

What is the InChIKey of 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine?

The InChIKey is AFNAHOJSSQMPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H6F3N.C7H10N2.C7H9NO.4C7H9N.C6H6ClN.C6H6FN.3C6H7N.C5H5ClN2.C5H6N2/c1-7-4-5-8(9-6-7)10(2)3;1-5-2-3-6(4-11-5)7(8,9)10;1-5-4-6(2)9-7(3)8-5;1-6-3-4-7(9-2)8-5-6;1-6-3-7(2)5-8-4-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;2*1-5-3-2-4-6(7)8-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-2-3-5(6)8-7-4;1-5-2-3-6-4-7-5/h4-6H,1-3H3;2-4H,1H3;4H,1-3H3;3-5H,1-2H3;4*3-5H,1-2H3;2*2-4H,1H3;3*2-5H,1H3;2-3H,1H3;2-4H,1H3.

What are the key properties of 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine?

Where does this data come from?

All data for 3-chloro-6-methylpyridazine;2-chloro-6-methylpyridine;2,3-dimethylpyridine;bis(2,5-dimethylpyridine);3,5-dimethylpyridine;2-fluoro-6-methylpyridine;2-methoxy-5-methylpyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine;N,N,5-trimethylpyridin-2-amine;2,4,6-trimethylpyrimidine is sourced from PubChem (CID 157098746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).