N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine

C10H12ClFN2O — CID 130847366

IUPACN-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NC2(CCl)CCOC2)nc1
InChIInChI=1S/C10H12ClFN2O/c11-6-10(3-4-15-7-10)14-9-2-1-8(12)5-13-9/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyMXRSSIPIIFIPEZ-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.03
Rot. Bonds3

About N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine

N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine (PubChem CID 130847366) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine
PubChem CID130847366
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NC2(CCl)CCOC2)nc1
InChIInChI=1S/C10H12ClFN2O/c11-6-10(3-4-15-7-10)14-9-2-1-8(12)5-13-9/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyMXRSSIPIIFIPEZ-UHFFFAOYSA-N
XLogP2.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine (CID 130847366) is N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine is Fc1ccc(NC2(CCl)CCOC2)nc1.
What is the InChIKey of N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine?
The InChIKey is MXRSSIPIIFIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-6-10(3-4-15-7-10)14-9-2-1-8(12)5-13-9/h1-2,5H,3-4,6-7H2,(H,13,14).
What are the key properties of N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine?
N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine has a molecular weight of 230.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)oxolan-3-yl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 130847366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).