N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine

C12H17ClFN3 — CID 112753140

IUPACN-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
SMILESNCC1CCCC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H17ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-2-8(4-10)6-15/h5,7-8,10H,1-4,6,15H2,(H,16,17)
InChIKeyJBTMDEZSJJXIJB-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.80
Rot. Bonds3

About N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine

N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine (PubChem CID 112753140) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
PubChem CID112753140
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC NameN-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
SMILESNCC1CCCC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H17ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-2-8(4-10)6-15/h5,7-8,10H,1-4,6,15H2,(H,16,17)
InChIKeyJBTMDEZSJJXIJB-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine (CID 112753140) is N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine is NCC1CCCC(Nc2ncc(Cl)cc2F)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is JBTMDEZSJJXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-2-8(4-10)6-15/h5,7-8,10H,1-4,6,15H2,(H,16,17).
What are the key properties of N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine?
N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 257.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 112753140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).