1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine

C10H14ClN3 — CID 163413623

IUPAC1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine
SMILESCCc1ccc(N2CC(N)C2)nc1Cl
InChIInChI=1S/C10H14ClN3/c1-2-7-3-4-9(13-10(7)11)14-5-8(12)6-14/h3-4,8H,2,5-6,12H2,1H3
InChIKeyACOIPZNSWIWCKN-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.44
Rot. Bonds2

About 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine

1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine (PubChem CID 163413623) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine
PubChem CID163413623
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine
SMILESCCc1ccc(N2CC(N)C2)nc1Cl
InChIInChI=1S/C10H14ClN3/c1-2-7-3-4-9(13-10(7)11)14-5-8(12)6-14/h3-4,8H,2,5-6,12H2,1H3
InChIKeyACOIPZNSWIWCKN-UHFFFAOYSA-N
XLogP1.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methanol
CID 156825866
3-[6-chloro-5-(2-nitroethyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 156826538
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
methyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 165179349
[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
CID 156825890
[1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloro-3-pyridinyl]methyl]triazol-4-yl]methanol
CID 166716344
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
3-chloro-2-(chloromethyl)-6-(3-methoxyazetidin-1-yl)pyridine
CID 130548172
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine?
The IUPAC name of 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine (CID 163413623) is 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine.
What is the SMILES notation for 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine?
The canonical SMILES for 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine is CCc1ccc(N2CC(N)C2)nc1Cl.
What is the InChIKey of 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine?
The InChIKey is ACOIPZNSWIWCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-2-7-3-4-9(13-10(7)11)14-5-8(12)6-14/h3-4,8H,2,5-6,12H2,1H3.
What are the key properties of 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine?
1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine has a molecular weight of 211.70 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethyl-2-pyridinyl)azetidin-3-amine is sourced from PubChem (CID 163413623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).