3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline

C13H13ClN2 — CID 169024574

IUPAC3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1cc(Cl)ncc1C
InChIInChI=1S/C13H13ClN2/c1-8-3-4-10(15)5-11(8)12-6-13(14)16-7-9(12)2/h3-7H,15H2,1-2H3
InChIKeyHQDMXDFBTSGCGM-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.60
Rot. Bonds1

About 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline

3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline (PubChem CID 169024574) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline.

Molecular Properties

Compound Name3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
PubChem CID169024574
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1cc(Cl)ncc1C
InChIInChI=1S/C13H13ClN2/c1-8-3-4-10(15)5-11(8)12-6-13(14)16-7-9(12)2/h3-7H,15H2,1-2H3
InChIKeyHQDMXDFBTSGCGM-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785052
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
4-methyl-3-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197696
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
3-(5-fluoro-2-pyridinyl)-4-methylaniline
CID 169175841
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
2-chloro-5-(2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 53222689
4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
CID 63334858
3-(3-chloro-5-methylphenyl)-4-methylaniline
CID 168929522
4-methyl-3-(2,3,4,6-tetrachlorophenyl)aniline
CID 105349928
4-methyl-3-(1,3-thiazol-2-yl)aniline
CID 57151166
3-(2-bromophenyl)-4-methylaniline
CID 115503563

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline?
The IUPAC name of 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline (CID 169024574) is 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline.
What is the SMILES notation for 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline?
The canonical SMILES for 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline is Cc1ccc(N)cc1-c1cc(Cl)ncc1C.
What is the InChIKey of 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline?
The InChIKey is HQDMXDFBTSGCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-8-3-4-10(15)5-11(8)12-6-13(14)16-7-9(12)2/h3-7H,15H2,1-2H3.
What are the key properties of 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline?
3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline has a molecular weight of 232.71 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline is sourced from PubChem (CID 169024574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).