1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine

C13H13Cl2N3 — CID 139621054

IUPAC1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccnc1Cl)Cc1cccnc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-18(8-10-4-2-6-16-12(10)14)9-11-5-3-7-17-13(11)15/h2-7H,8-9H2,1H3
InChIKeyVFTVSWPOUOEUSC-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine

1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 139621054) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
PubChem CID139621054
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccnc1Cl)Cc1cccnc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-18(8-10-4-2-6-16-12(10)14)9-11-5-3-7-17-13(11)15/h2-7H,8-9H2,1H3
InChIKeyVFTVSWPOUOEUSC-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.42
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

N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 56918257
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
CID 62470184
N'-[(2-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62469659
N-[(2-chloro-3-pyridinyl)methyl]-N-ethylpropan-1-amine
CID 62470730
4-N-[(2-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121431
N-benzyl-N-[(2-chloro-3-pyridinyl)methyl]-1-phenylmethanamine
CID 52837040
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine (CID 139621054) is 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cccnc1Cl)Cc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is VFTVSWPOUOEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-18(8-10-4-2-6-16-12(10)14)9-11-5-3-7-17-13(11)15/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine?
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 282.17 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 139621054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).