2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one

C8H10Cl2N2O — CID 170868268

IUPAC2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one
SMILESNCCCc1[nH]c(Cl)cc(=O)c1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-7-4-6(13)8(10)5(12-7)2-1-3-11/h4H,1-3,11H2,(H,12,13)
InChIKeyGSBZNXULRWAZGY-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.57
Rot. Bonds3

About 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one

2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one (PubChem CID 170868268) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one
PubChem CID170868268
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one
SMILESNCCCc1[nH]c(Cl)cc(=O)c1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-7-4-6(13)8(10)5(12-7)2-1-3-11/h4H,1-3,11H2,(H,12,13)
InChIKeyGSBZNXULRWAZGY-UHFFFAOYSA-N
XLogP1.57
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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6-(3-aminopropyl)-4-chloro-3H-1,3-benzoxazol-2-one
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3-(4-aminobutyl)-6-chloro-1H-quinolin-2-one
CID 84634074
3-[5-(3-aminopropyl)-1H-pyrrol-2-yl]propan-1-amine
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5-(3-aminopropyl)-1,2-oxazol-3-one
CID 55290312
4-(4-aminobutyl)-5-hydroxy-1,3-dihydroimidazol-2-one
CID 54058151
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368
3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 82406302
3-[2-(4-chlorophenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463546
3-(5,7-dichloro-1H-indol-2-yl)propan-1-amine
CID 83868222
6-chloro-3-fluoro-2-iodo-1H-pyridin-4-one
CID 178200375

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one?
The IUPAC name of 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one (CID 170868268) is 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one.
What is the SMILES notation for 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one?
The canonical SMILES for 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one is NCCCc1[nH]c(Cl)cc(=O)c1Cl.
What is the InChIKey of 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one?
The InChIKey is GSBZNXULRWAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c9-7-4-6(13)8(10)5(12-7)2-1-3-11/h4H,1-3,11H2,(H,12,13).
What are the key properties of 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one?
2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one has a molecular weight of 221.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3,6-dichloro-1H-pyridin-4-one is sourced from PubChem (CID 170868268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).