1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine

C8H11ClN2 — CID 126971830

IUPAC1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2/c1-11(2)6-8-4-3-7(9)5-10-8/h3-5H,6H2,1-2H3
InChIKeyQBRAEOMDAIYAOW-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.80
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine

1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine (PubChem CID 126971830) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
PubChem CID126971830
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2/c1-11(2)6-8-4-3-7(9)5-10-8/h3-5H,6H2,1-2H3
InChIKeyQBRAEOMDAIYAOW-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

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Related Compounds

N-[(5-chloro-2-pyridinyl)methyl]-N-methylethanamine
CID 130634861
1-(5-chloro-2-pyridinyl)-N-methylmethanamine;hydrochloride
CID 162422867
N-[(5-chloro-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 58946113
(E)-3-[6-[(dimethylamino)methyl]-3-pyridinyl]prop-2-enoic acid
CID 18416271
2-(2-bromo-3-methylbutyl)-5-chloropyridine
CID 63204010
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 66231617
5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 121264421
(5-chloro-2-pyridinyl)methyl acetate
CID 14517150
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 55046282
1-[(5-chloro-2-pyridinyl)methyl]-3-methylpyrazol-4-amine
CID 165471981
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
N-[(5-chloro-2-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitroethanimidamide
CID 90802137

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine (CID 126971830) is 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine is CN(C)Cc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
The InChIKey is QBRAEOMDAIYAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(2)6-8-4-3-7(9)5-10-8/h3-5H,6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
1-(5-chloro-2-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-(5-chloro-2-pyridinyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 126971830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).