3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine

C74H97Cl3N14O6 — CID 161181476

IUPAC3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
SMILESC.C.C.C.C.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccccn1.Cc1cccnc1C.Cc1ccncc1.Cc1ccncc1C.Cc1ccncc1Cl.Cc1ccncc1[N+](=O)[O-].Cc1ncccc1Cl.Cc1ncccc1[N+](=O)[O-]
InChIInChI=1S/3C7H9N.3C6H6ClN.3C6H6N2O2.2C6H7N.5CH4/c1-6-3-4-8-5-7(6)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-8-4-6(5)7;1-5-2-3-6(7)4-8-5;1-5-6(7)3-2-4-8-5;1-5-2-3-7-4-6(5)8(9)10;1-5-2-3-6(4-7-5)8(9)10;1-5-6(8(9)10)3-2-4-7-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;;;;;/h3*3-5H,1-2H3;3*2-4H,1H3;3*2-4H,1H3;2*2-5H,1H3;5*1H4
InChIKeyUSNCESMUZWCPHY-UHFFFAOYSA-N
MW1385.04 g/mol
LogP21.08
Rot. Bonds3

About 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine

3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine (PubChem CID 161181476) has the molecular formula C74H97Cl3N14O6 and a molecular weight of 1385.04 g/mol. Its IUPAC name is 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Name3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
PubChem CID161181476
Molecular FormulaC74H97Cl3N14O6
Molecular Weight1385.04 g/mol
Exact Mass1382.68
IUPAC Name3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
SMILESC.C.C.C.C.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccccn1.Cc1cccnc1C.Cc1ccncc1.Cc1ccncc1C.Cc1ccncc1Cl.Cc1ccncc1[N+](=O)[O-].Cc1ncccc1Cl.Cc1ncccc1[N+](=O)[O-]
InChIInChI=1S/3C7H9N.3C6H6ClN.3C6H6N2O2.2C6H7N.5CH4/c1-6-3-4-8-5-7(6)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-8-4-6(5)7;1-5-2-3-6(7)4-8-5;1-5-6(7)3-2-4-8-5;1-5-2-3-7-4-6(5)8(9)10;1-5-2-3-6(4-7-5)8(9)10;1-5-6(8(9)10)3-2-4-7-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;;;;;/h3*3-5H,1-2H3;3*2-4H,1H3;3*2-4H,1H3;2*2-5H,1H3;5*1H4
InChIKeyUSNCESMUZWCPHY-UHFFFAOYSA-N
XLogP21.08
TPSA271.21 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.04
LogP ≤ 521.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine?
The IUPAC name of 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine (CID 161181476) is 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine.
What is the SMILES notation for 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine?
The canonical SMILES for 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine is C.C.C.C.C.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccccn1.Cc1cccnc1C.Cc1ccncc1.Cc1ccncc1C.Cc1ccncc1Cl.Cc1ccncc1[N+](=O)[O-].Cc1ncccc1Cl.Cc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine?
The InChIKey is USNCESMUZWCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H9N.3C6H6ClN.3C6H6N2O2.2C6H7N.5CH4/c1-6-3-4-8-5-7(6)2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-8-4-6(5)7;1-5-2-3-6(7)4-8-5;1-5-6(7)3-2-4-8-5;1-5-2-3-7-4-6(5)8(9)10;1-5-2-3-6(4-7-5)8(9)10;1-5-6(8(9)10)3-2-4-7-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;;;;;/h3*3-5H,1-2H3;3*2-4H,1H3;3*2-4H,1H3;2*2-5H,1H3;5*1H4.
What are the key properties of 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine?
3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine has a molecular weight of 1385.04 g/mol, XLogP of 21.08, 3 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine is sourced from PubChem (CID 161181476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).