1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine

C8H11ClN2 — CID 22727111

IUPAC1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C8H11ClN2/c1-11(2)6-8-5-7(9)3-4-10-8/h3-5H,6H2,1-2H3
InChIKeyNVKDVDORSVTRRF-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.80
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine

1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine (PubChem CID 22727111) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine
PubChem CID22727111
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C8H11ClN2/c1-11(2)6-8-5-7(9)3-4-10-8/h3-5H,6H2,1-2H3
InChIKeyNVKDVDORSVTRRF-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine (CID 22727111) is 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine is CN(C)Cc1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
The InChIKey is NVKDVDORSVTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(2)6-8-5-7(9)3-4-10-8/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine?
1-(4-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-(4-chloro-2-pyridinyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 22727111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).