(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol

C10H13ClN2O — CID 124616320

IUPAC(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)Nc1ncccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-2-4-8(7-14)13-10-9(11)5-3-6-12-10/h2-3,5-6,8,14H,1,4,7H2,(H,12,13)/t8-/m0/s1
InChIKeyOJJVLXDIUFSXNQ-QMMMGPOBSA-N
MW212.68 g/mol
LogP2.08
Rot. Bonds5

About (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol

(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol (PubChem CID 124616320) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol
PubChem CID124616320
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol
SMILESC=CC[C@@H](CO)Nc1ncccc1Cl
InChIInChI=1S/C10H13ClN2O/c1-2-4-8(7-14)13-10-9(11)5-3-6-12-10/h2-3,5-6,8,14H,1,4,7H2,(H,12,13)/t8-/m0/s1
InChIKeyOJJVLXDIUFSXNQ-QMMMGPOBSA-N
XLogP2.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-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

(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232377
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol?
The IUPAC name of (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol (CID 124616320) is (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol.
What is the SMILES notation for (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol?
The canonical SMILES for (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol is C=CC[C@@H](CO)Nc1ncccc1Cl.
What is the InChIKey of (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol?
The InChIKey is OJJVLXDIUFSXNQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-4-8(7-14)13-10-9(11)5-3-6-12-10/h2-3,5-6,8,14H,1,4,7H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol?
(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol is sourced from PubChem (CID 124616320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).