N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine

C12H14ClFN2 — CID 79728044

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1NC1CC2CCC1C2
InChIInChI=1S/C12H14ClFN2/c13-9-5-10(14)12(15-6-9)16-11-4-7-1-2-8(11)3-7/h5-8,11H,1-4H2,(H,15,16)
InChIKeyDREXTZFRNIUBIZ-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.47
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine (PubChem CID 79728044) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine
PubChem CID79728044
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine
SMILESFc1cc(Cl)cnc1NC1CC2CCC1C2
InChIInChI=1S/C12H14ClFN2/c13-9-5-10(14)12(15-6-9)16-11-4-7-1-2-8(11)3-7/h5-8,11H,1-4H2,(H,15,16)
InChIKeyDREXTZFRNIUBIZ-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine (CID 79728044) is N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine is Fc1cc(Cl)cnc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is DREXTZFRNIUBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c13-9-5-10(14)12(15-6-9)16-11-4-7-1-2-8(11)3-7/h5-8,11H,1-4H2,(H,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 240.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 79728044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).