3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine

C12H10Cl3N3 — CID 102750389

IUPAC3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccnc1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl3N3/c1-18(7-8-3-2-4-16-6-8)12-10(14)5-9(13)11(15)17-12/h2-6H,7H2,1H3
InChIKeyXBCRHVFDEWFQTA-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.07
Rot. Bonds3

About 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine

3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 102750389) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID102750389
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cccnc1)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl3N3/c1-18(7-8-3-2-4-16-6-8)12-10(14)5-9(13)11(15)17-12/h2-6H,7H2,1H3
InChIKeyXBCRHVFDEWFQTA-UHFFFAOYSA-N
XLogP4.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102761658
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
6-chloro-N,5-dimethyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80970738
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
[4,6-dimethyl-2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61256043

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 102750389) is 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine is CN(Cc1cccnc1)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is XBCRHVFDEWFQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3/c1-18(7-8-3-2-4-16-6-8)12-10(14)5-9(13)11(15)17-12/h2-6H,7H2,1H3.
What are the key properties of 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine?
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 302.59 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 102750389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).