3-[(5-chloro-2-pyridinyl)amino]propan-1-ol

C8H11ClN2O — CID 29043106

IUPAC3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
SMILESOCCCNc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c9-7-2-3-8(11-6-7)10-4-1-5-12/h2-3,6,12H,1,4-5H2,(H,10,11)
InChIKeyXRIYHCLRIVVUFX-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.53
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol

3-[(5-chloro-2-pyridinyl)amino]propan-1-ol (PubChem CID 29043106) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
PubChem CID29043106
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
SMILESOCCCNc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c9-7-2-3-8(11-6-7)10-4-1-5-12/h2-3,6,12H,1,4-5H2,(H,10,11)
InChIKeyXRIYHCLRIVVUFX-UHFFFAOYSA-N
XLogP1.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
CID 107323387
4-[(5-chloro-2-pyridinyl)amino]butanoic acid
CID 24698899
N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
3-[(4-chloro-5-fluoro-2-pyridinyl)amino]propan-1-ol
CID 166385249
N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103704919
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
5-chloro-N-(3-chlorobutyl)pyridin-2-amine
CID 65028422
2-chloro-N-[6-(3-hydroxypropylamino)-3-pyridinyl]benzamide
CID 28901836
3-[[5-(difluoromethoxy)-2-pyridinyl]amino]propan-1-ol
CID 133423941
2-[(5-chloro-2-pyridinyl)amino]ethyl-diethylazanium chloride
CID 110175206
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol (CID 29043106) is 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol is OCCCNc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is XRIYHCLRIVVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-7-2-3-8(11-6-7)10-4-1-5-12/h2-3,6,12H,1,4-5H2,(H,10,11).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol?
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 186.64 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 29043106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).