N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

C17H15Cl2FN2O — CID 17333109

IUPACN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1Cl
InChIInChI=1S/C17H14ClFN2O.ClH/c18-15-9-12(4-6-16(15)19)17-7-5-14(22-17)11-20-10-13-3-1-2-8-21-13;/h1-9,20H,10-11H2;1H
InChIKeyYKVDEYVZTISPPL-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.85
Rot. Bonds5

About N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 17333109) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
PubChem CID17333109
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC NameN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1Cl
InChIInChI=1S/C17H14ClFN2O.ClH/c18-15-9-12(4-6-16(15)19)17-7-5-14(22-17)11-20-10-13-3-1-2-8-21-13;/h1-9,20H,10-11H2;1H
InChIKeyYKVDEYVZTISPPL-UHFFFAOYSA-N
XLogP4.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (CID 17333109) is N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is Cl.Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is YKVDEYVZTISPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O.ClH/c18-15-9-12(4-6-16(15)19)17-7-5-14(22-17)11-20-10-13-3-1-2-8-21-13;/h1-9,20H,10-11H2;1H.
What are the key properties of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 353.22 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 17333109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).