1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol

C11H15ClN2O — CID 131008554

IUPAC1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
SMILESOC1(CCNc2ccnc(Cl)c2)CCC1
InChIInChI=1S/C11H15ClN2O/c12-10-8-9(2-6-14-10)13-7-5-11(15)3-1-4-11/h2,6,8,15H,1,3-5,7H2,(H,13,14)
InChIKeyTXNNUAGDLWGECZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol

1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol (PubChem CID 131008554) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
PubChem CID131008554
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
SMILESOC1(CCNc2ccnc(Cl)c2)CCC1
InChIInChI=1S/C11H15ClN2O/c12-10-8-9(2-6-14-10)13-7-5-11(15)3-1-4-11/h2,6,8,15H,1,3-5,7H2,(H,13,14)
InChIKeyTXNNUAGDLWGECZ-UHFFFAOYSA-N
XLogP2.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-chloropyridin-4-yl)carbamate
CID 21858447
2-chloro-N-ethylpyridin-4-amine
CID 47002920
2-chloro-N-methylpyridin-4-amine
CID 53416995
2-(2-Chloropyridin-4-ylamino)ethanol
CID 89246623
2-chloro-N-(cyclopropylmethyl)pyridin-4-amine
CID 80524083
2-chloro-N-phenylpyridin-4-amine
CID 11424268
3-Amino-2-[(3-chloropyridin-4-yl)methyl]propan-1-ol
CID 65682331
4-[(3-Hydroxy-3-methylcyclobutyl)amino]pyridine-2-carbonitrile
CID 137998746
N-[(4-chlorophenyl)methyl]pyridin-4-amine
CID 83186
2-chloro-N-(3,3,3-trifluoropropyl)pyridin-4-amine
CID 103757136
(E)-N-(2-chloro-5-fluoro-4-pyridinyl)-N'-methylprop-1-ene-1,3-diamine
CID 129232893
4-[(2-Chloro-5-iodo-4-pyridinyl)amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 167425650

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol (CID 131008554) is 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol is OC1(CCNc2ccnc(Cl)c2)CCC1.
What is the InChIKey of 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol?
The InChIKey is TXNNUAGDLWGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-8-9(2-6-14-10)13-7-5-11(15)3-1-4-11/h2,6,8,15H,1,3-5,7H2,(H,13,14).
What are the key properties of 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol?
1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol has a molecular weight of 226.71 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 131008554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).