3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine

C11H10ClN3O — CID 64600258

IUPAC3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine
SMILESNc1ncccc1COc1cncc(Cl)c1
InChIInChI=1S/C11H10ClN3O/c12-9-4-10(6-14-5-9)16-7-8-2-1-3-15-11(8)13/h1-6H,7H2,(H2,13,15)
InChIKeyLSTUMHFOIRVIGV-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.29
Rot. Bonds3

About 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine

3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine (PubChem CID 64600258) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine
PubChem CID64600258
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine
SMILESNc1ncccc1COc1cncc(Cl)c1
InChIInChI=1S/C11H10ClN3O/c12-9-4-10(6-14-5-9)16-7-8-2-1-3-15-11(8)13/h1-6H,7H2,(H2,13,15)
InChIKeyLSTUMHFOIRVIGV-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine (CID 64600258) is 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine is Nc1ncccc1COc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine?
The InChIKey is LSTUMHFOIRVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-4-10(6-14-5-9)16-7-8-2-1-3-15-11(8)13/h1-6H,7H2,(H2,13,15).
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine?
3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine has a molecular weight of 235.67 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 64600258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).