[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride

C15H16Cl2FN3O — CID 140666617

IUPAC[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride
SMILESCC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F.Cl
InChIInChI=1S/C15H15ClFN3O.ClH/c1-2-11(18)9-4-5-10(16)13(14(9)17)15(21)8-3-6-12(19)20-7-8;/h3-7,11H,2,18H2,1H3,(H2,19,20);1H/t11-;/m1./s1
InChIKeyDCWYXLKQFNRGCN-RFVHGSKJSA-N
MW344.22 g/mol
LogP3.52
Rot. Bonds4

About [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride

[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride (PubChem CID 140666617) has the molecular formula C15H16Cl2FN3O and a molecular weight of 344.22 g/mol. Its IUPAC name is [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride
PubChem CID140666617
Molecular FormulaC15H16Cl2FN3O
Molecular Weight344.22 g/mol
Exact Mass343.07
IUPAC Name[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride
SMILESCC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F.Cl
InChIInChI=1S/C15H15ClFN3O.ClH/c1-2-11(18)9-4-5-10(16)13(14(9)17)15(21)8-3-6-12(19)20-7-8;/h3-7,11H,2,18H2,1H3,(H2,19,20);1H/t11-;/m1./s1
InChIKeyDCWYXLKQFNRGCN-RFVHGSKJSA-N
XLogP3.52
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride?
The IUPAC name of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride (CID 140666617) is [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride.
What is the SMILES notation for [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride?
The canonical SMILES for [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride is CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F.Cl.
What is the InChIKey of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride?
The InChIKey is DCWYXLKQFNRGCN-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H15ClFN3O.ClH/c1-2-11(18)9-4-5-10(16)13(14(9)17)15(21)8-3-6-12(19)20-7-8;/h3-7,11H,2,18H2,1H3,(H2,19,20);1H/t11-;/m1./s1.
What are the key properties of [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride?
[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride has a molecular weight of 344.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride is sourced from PubChem (CID 140666617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).