6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine

C12H12ClN3 — CID 104599914

IUPAC6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESCc1cc(Cl)ncc1NCc1ccccn1
InChIInChI=1S/C12H12ClN3/c1-9-6-12(13)16-8-11(9)15-7-10-4-2-3-5-14-10/h2-6,8,15H,7H2,1H3
InChIKeyJITXIRJEUOVNTG-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.05
Rot. Bonds3

About 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine

6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine (PubChem CID 104599914) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
PubChem CID104599914
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
SMILESCc1cc(Cl)ncc1NCc1ccccn1
InChIInChI=1S/C12H12ClN3/c1-9-6-12(13)16-8-11(9)15-7-10-4-2-3-5-14-10/h2-6,8,15H,7H2,1H3
InChIKeyJITXIRJEUOVNTG-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113431252
6-chloro-4-methyl-N-propylpyridin-3-amine
CID 130497608
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 70795723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine (CID 104599914) is 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine is Cc1cc(Cl)ncc1NCc1ccccn1.
What is the InChIKey of 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
The InChIKey is JITXIRJEUOVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9-6-12(13)16-8-11(9)15-7-10-4-2-3-5-14-10/h2-6,8,15H,7H2,1H3.
What are the key properties of 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine?
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine has a molecular weight of 233.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 104599914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).