2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine

C11H15ClN2O — CID 82835481

IUPAC2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
SMILESCC1CCC(CNc2ccnc(Cl)c2)O1
InChIInChI=1S/C11H15ClN2O/c1-8-2-3-10(15-8)7-14-9-4-5-13-11(12)6-9/h4-6,8,10H,2-3,7H2,1H3,(H,13,14)
InChIKeyNTNXVLHGDDQNLS-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine

2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine (PubChem CID 82835481) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
PubChem CID82835481
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
SMILESCC1CCC(CNc2ccnc(Cl)c2)O1
InChIInChI=1S/C11H15ClN2O/c1-8-2-3-10(15-8)7-14-9-4-5-13-11(12)6-9/h4-6,8,10H,2-3,7H2,1H3,(H,13,14)
InChIKeyNTNXVLHGDDQNLS-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine (CID 82835481) is 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine is CC1CCC(CNc2ccnc(Cl)c2)O1.
What is the InChIKey of 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine?
The InChIKey is NTNXVLHGDDQNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-2-3-10(15-8)7-14-9-4-5-13-11(12)6-9/h4-6,8,10H,2-3,7H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine?
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 82835481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).