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

C9H11ClN2O — CID 115486637

IUPAC2-chloro-N-(oxolan-3-yl)pyridin-4-amine
SMILESClc1cc(NC2CCOC2)ccn1
InChIInChI=1S/C9H11ClN2O/c10-9-5-7(1-3-11-9)12-8-2-4-13-6-8/h1,3,5,8H,2,4,6H2,(H,11,12)
InChIKeyQWLDJOAVDMJEKQ-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.94
Rot. Bonds2

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

2-chloro-N-(oxolan-3-yl)pyridin-4-amine (PubChem CID 115486637) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-yl)pyridin-4-amine
PubChem CID115486637
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-N-(oxolan-3-yl)pyridin-4-amine
SMILESClc1cc(NC2CCOC2)ccn1
InChIInChI=1S/C9H11ClN2O/c10-9-5-7(1-3-11-9)12-8-2-4-13-6-8/h1,3,5,8H,2,4,6H2,(H,11,12)
InChIKeyQWLDJOAVDMJEKQ-UHFFFAOYSA-N
XLogP1.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.94
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

4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
CID 102824278
2-chloro-N-[1-(oxan-4-yl)ethyl]pyridin-4-amine
CID 103768427
2-chloro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-4-amine
CID 130671043
2-chloro-N-(2,2-dimethyloxolan-3-yl)pyridin-4-amine
CID 131172392
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
N-[3-(chloromethyl)phenyl]oxolan-3-amine
CID 65023855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(oxolan-3-yl)pyridin-4-amine (CID 115486637) is 2-chloro-N-(oxolan-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-3-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(oxolan-3-yl)pyridin-4-amine is Clc1cc(NC2CCOC2)ccn1.
What is the InChIKey of 2-chloro-N-(oxolan-3-yl)pyridin-4-amine?
The InChIKey is QWLDJOAVDMJEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-9-5-7(1-3-11-9)12-8-2-4-13-6-8/h1,3,5,8H,2,4,6H2,(H,11,12).
What are the key properties of 2-chloro-N-(oxolan-3-yl)pyridin-4-amine?
2-chloro-N-(oxolan-3-yl)pyridin-4-amine has a molecular weight of 198.65 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-yl)pyridin-4-amine is sourced from PubChem (CID 115486637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).