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

C12H12ClN3 — CID 75515545

IUPAC3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccccn1)c1ncccc1Cl
InChIInChI=1S/C12H12ClN3/c1-16(9-10-5-2-3-7-14-10)12-11(13)6-4-8-15-12/h2-8H,9H2,1H3
InChIKeyZNPXTBHMEBTFAO-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.77
Rot. Bonds3

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

3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 75515545) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID75515545
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccccn1)c1ncccc1Cl
InChIInChI=1S/C12H12ClN3/c1-16(9-10-5-2-3-7-14-10)12-11(13)6-4-8-15-12/h2-8H,9H2,1H3
InChIKeyZNPXTBHMEBTFAO-UHFFFAOYSA-N
XLogP2.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
3-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 75515539
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 171327483
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 79918710
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788
[2-[(2-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417296
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 75515545) is 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine is CN(Cc1ccccn1)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is ZNPXTBHMEBTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-16(9-10-5-2-3-7-14-10)12-11(13)6-4-8-15-12/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine?
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 75515545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).