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1-(3-Chloropropyl)-3-pyridin-3-ylurea

HCID 59636232
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NCCCCl)Nc1cccnc1
InChIKey
VSKHEVNSMQFOLW-UHFFFAOYSA-N
Molecular formula
C9H12ClN3O
Average molar mass
213.66 g/mol

Names & identifiers

Preferred name
1-(3-Chloropropyl)-3-pyridin-3-ylurea
IUPAC
1-(3-chloropropyl)-3-pyridin-3-ylurea

Names & synonyms

1-(3-chloropropyl)-3-pyridin-3-ylureaSCHEMBL3780409VSKHEVNSMQFOLW-UHFFFAOYSA-N1260008-55-61-(3-chloro-propyl)-3-pyridin-3-yl-ureaDB-328499

Database identifiers

PubChem CID
59636232

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
54 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
177

Related reactions

6 records
New reaction record
HRID 80031 reaction equation
HRID 80031As productuspto-grants-2014_09
HRID 80032 reaction equation
HRID 80032As reactantuspto-grants-2014_09
HRID 288385 reaction equation
HRID 288385As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2336516 reaction equation
HRID 2336516As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2383714 reaction equation
HRID 2383714As productuspto-grants-2012_09
HRID 2383715 reaction equation
HRID 2383715As reactantuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes