2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

C103H96Cl3F12N21O4S — CID 162127749

IUPAC2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
SMILESCN(C)c1ccncc1.COc1cccnc1.COc1ccncc1.CS(=O)(=O)c1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1
InChIInChI=1S/C7H10N2.3C6H4F3N.2C6H4N2.C6H7NO2S.2C6H7NO.3C6H7N.3C5H4ClN.3C5H4FN/c1-9(2)7-3-5-8-6-4-7;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-10(8,9)6-2-4-7-5-3-6;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3-6H,1-2H3;3*1-4H;1-3,5H;1-4H;2-5H,1H3;2*2-5H,1H3;3*2-5H,1H3;6*1-4H
InChIKeyZIGNCOYKAROWTB-UHFFFAOYSA-N
MW2058.45 g/mol
LogP25.06
Rot. Bonds4

About 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine

2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 162127749) has the molecular formula C103H96Cl3F12N21O4S and a molecular weight of 2058.45 g/mol. Its IUPAC name is 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
PubChem CID162127749
Molecular FormulaC103H96Cl3F12N21O4S
Molecular Weight2058.45 g/mol
Exact Mass2055.65
IUPAC Name2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
SMILESCN(C)c1ccncc1.COc1cccnc1.COc1ccncc1.CS(=O)(=O)c1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1
InChIInChI=1S/C7H10N2.3C6H4F3N.2C6H4N2.C6H7NO2S.2C6H7NO.3C6H7N.3C5H4ClN.3C5H4FN/c1-9(2)7-3-5-8-6-4-7;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-10(8,9)6-2-4-7-5-3-6;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3-6H,1-2H3;3*1-4H;1-3,5H;1-4H;2-5H,1H3;2*2-5H,1H3;3*2-5H,1H3;6*1-4H
InChIKeyZIGNCOYKAROWTB-UHFFFAOYSA-N
XLogP25.06
TPSA335.44 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds4
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002058.45
LogP ≤ 525.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine (CID 162127749) is 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is CN(C)c1ccncc1.COc1cccnc1.COc1ccncc1.CS(=O)(=O)c1ccncc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Clc1ccccn1.Clc1cccnc1.Clc1ccncc1.FC(F)(F)c1ccccn1.FC(F)(F)c1cccnc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.N#Cc1ccccn1.N#Cc1cccnc1.
What is the InChIKey of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
The InChIKey is ZIGNCOYKAROWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.3C6H4F3N.2C6H4N2.C6H7NO2S.2C6H7NO.3C6H7N.3C5H4ClN.3C5H4FN/c1-9(2)7-3-5-8-6-4-7;7-6(8,9)5-1-3-10-4-2-5;7-6(8,9)5-2-1-3-10-4-5;7-6(8,9)5-3-1-2-4-10-5;7-4-6-2-1-3-8-5-6;7-5-6-3-1-2-4-8-6;1-10(8,9)6-2-4-7-5-3-6;1-8-6-2-4-7-5-3-6;1-8-6-3-2-4-7-5-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5/h3-6H,1-2H3;3*1-4H;1-3,5H;1-4H;2-5H,1H3;2*2-5H,1H3;3*2-5H,1H3;6*1-4H.
What are the key properties of 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine?
2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 2058.45 g/mol, XLogP of 25.06, 4 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;3-chloropyridine;4-chloropyridine;N,N-dimethylpyridin-4-amine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methylsulfonylpyridine;pyridine-2-carbonitrile;pyridine-3-carbonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 162127749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).