2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine

C8H11ClN2O — CID 84660779

IUPAC2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine
SMILESCOc1cc(Cl)cnc1CCN
InChIInChI=1S/C8H11ClN2O/c1-12-8-4-6(9)5-11-7(8)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyNGUKLUACDDZYEK-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.24
Rot. Bonds3

About 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine

2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine (PubChem CID 84660779) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine
PubChem CID84660779
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine
SMILESCOc1cc(Cl)cnc1CCN
InChIInChI=1S/C8H11ClN2O/c1-12-8-4-6(9)5-11-7(8)2-3-10/h4-5H,2-3,10H2,1H3
InChIKeyNGUKLUACDDZYEK-UHFFFAOYSA-N
XLogP1.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
5-chloro-3-methoxy-2-prop-2-ynoxypyridine
CID 11356063
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
5-chloro-3-ethoxy-2-methoxypyridine
CID 53217397
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
2-(5-chloro-3-methoxy-2-pyridinyl)propan-2-ol
CID 84670350
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
5-chloro-3-methoxy-2-prop-1-en-2-ylpyridine
CID 176933319
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)ethyl]carbamate;2-(3,5-dichloro-2-pyridinyl)ethanamine
CID 67427976

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine (CID 84660779) is 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine is COc1cc(Cl)cnc1CCN.
What is the InChIKey of 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine?
The InChIKey is NGUKLUACDDZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-12-8-4-6(9)5-11-7(8)2-3-10/h4-5H,2-3,10H2,1H3.
What are the key properties of 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine?
2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine has a molecular weight of 186.64 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methoxy-2-pyridinyl)ethanamine is sourced from PubChem (CID 84660779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).