1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine

C8H11ClN2 — CID 12056677

IUPAC1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c1-11(2)6-7-3-4-8(9)10-5-7/h3-5H,6H2,1-2H3
InChIKeyHVWFBPPAYRVHFD-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.80
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine

1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine (PubChem CID 12056677) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
PubChem CID12056677
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C8H11ClN2/c1-11(2)6-7-3-4-8(9)10-5-7/h3-5H,6H2,1-2H3
InChIKeyHVWFBPPAYRVHFD-UHFFFAOYSA-N
XLogP1.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63866570
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112692351
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine (CID 12056677) is 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine is CN(C)Cc1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine?
The InChIKey is HVWFBPPAYRVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(2)6-7-3-4-8(9)10-5-7/h3-5H,6H2,1-2H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine?
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine has a molecular weight of 170.64 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 12056677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).