2-[(3-chloro-4-pyridinyl)amino]propan-1-ol

C8H11ClN2O — CID 79838859

IUPAC2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1ccncc1Cl
InChIInChI=1S/C8H11ClN2O/c1-6(5-12)11-8-2-3-10-4-7(8)9/h2-4,6,12H,5H2,1H3,(H,10,11)
InChIKeyPRVXVVQJHBKQSD-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.53
Rot. Bonds3

About 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol

2-[(3-chloro-4-pyridinyl)amino]propan-1-ol (PubChem CID 79838859) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
PubChem CID79838859
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1ccncc1Cl
InChIInChI=1S/C8H11ClN2O/c1-6(5-12)11-8-2-3-10-4-7(8)9/h2-4,6,12H,5H2,1H3,(H,10,11)
InChIKeyPRVXVVQJHBKQSD-UHFFFAOYSA-N
XLogP1.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 2-[(3-chloro-4-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

3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
2-N-(3-chloro-4-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 79841294
methyl 2-[(3-chloro-4-pyridinyl)amino]-4-methylpentanoate
CID 79840523
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
CID 79841475
3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
CID 79840715
3-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106231343
2-[(3-chloro-4-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107849460

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol (CID 79838859) is 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol is CC(CO)Nc1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol?
The InChIKey is PRVXVVQJHBKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6(5-12)11-8-2-3-10-4-7(8)9/h2-4,6,12H,5H2,1H3,(H,10,11).
What are the key properties of 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol?
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol has a molecular weight of 186.64 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 79838859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).