2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine

C11H15ClN2O — CID 130906124

IUPAC2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
SMILESCCC1(Nc2ccnc(Cl)c2)CCOC1
InChIInChI=1S/C11H15ClN2O/c1-2-11(4-6-15-8-11)14-9-3-5-13-10(12)7-9/h3,5,7H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyQKYVKJHRMWKTNJ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine

2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine (PubChem CID 130906124) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
PubChem CID130906124
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine
SMILESCCC1(Nc2ccnc(Cl)c2)CCOC1
InChIInChI=1S/C11H15ClN2O/c1-2-11(4-6-15-8-11)14-9-3-5-13-10(12)7-9/h3,5,7H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyQKYVKJHRMWKTNJ-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.72
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

N-[4-(chloromethyl)oxan-4-yl]-2-methylpyridin-4-amine
CID 106300213
2-chloro-N-[(3-methyloxetan-3-yl)methyl]pyridin-4-amine
CID 103756861
5-bromo-N-(3-ethyloxolan-3-yl)pyridin-2-amine
CID 130610275
[3-(pyridin-4-ylamino)oxolan-3-yl]methanol
CID 130834966
2-chloro-N-(1-cyclopropylcyclopropyl)pyridin-4-amine
CID 164653560
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine
CID 130610268
2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
CID 131172392
2-chloro-N-(3-methylpentan-3-yl)pyridin-4-amine
CID 106330915
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
2-chloro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-4-amine
CID 103721807
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine (CID 130906124) is 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine is CCC1(Nc2ccnc(Cl)c2)CCOC1.
What is the InChIKey of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
The InChIKey is QKYVKJHRMWKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-11(4-6-15-8-11)14-9-3-5-13-10(12)7-9/h3,5,7H,2,4,6,8H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine?
2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyloxolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 130906124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).