N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine

C11H14ClFN2 — CID 114757767

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NCC2(CCCl)CC2)nc1
InChIInChI=1S/C11H14ClFN2/c12-6-5-11(3-4-11)8-15-10-2-1-9(13)7-14-10/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyODDKUNHRFNHBNI-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine (PubChem CID 114757767) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
PubChem CID114757767
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
SMILESFc1ccc(NCC2(CCCl)CC2)nc1
InChIInChI=1S/C11H14ClFN2/c12-6-5-11(3-4-11)8-15-10-2-1-9(13)7-14-10/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyODDKUNHRFNHBNI-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine (CID 114757767) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine is Fc1ccc(NCC2(CCCl)CC2)nc1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine?
The InChIKey is ODDKUNHRFNHBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-6-5-11(3-4-11)8-15-10-2-1-9(13)7-14-10/h1-2,7H,3-6,8H2,(H,14,15).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine is sourced from PubChem (CID 114757767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).