(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine

C8H12ClN3 — CID 142991116

IUPAC(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
SMILESC[C@H](N)CNc1ncccc1Cl
InChIInChI=1S/C8H12ClN3/c1-6(10)5-12-8-7(9)3-2-4-11-8/h2-4,6H,5,10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJUIBTWQRUOLMMG-LURJTMIESA-N
MW185.66 g/mol
LogP1.49
Rot. Bonds3

About (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine

(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine (PubChem CID 142991116) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
PubChem CID142991116
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
SMILESC[C@H](N)CNc1ncccc1Cl
InChIInChI=1S/C8H12ClN3/c1-6(10)5-12-8-7(9)3-2-4-11-8/h2-4,6H,5,10H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJUIBTWQRUOLMMG-LURJTMIESA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 65035349
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
3-chloro-N-(3,3-difluoropropyl)pyridin-2-amine
CID 130735662
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 103748441
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
CID 60877011

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine (CID 142991116) is (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine is C[C@H](N)CNc1ncccc1Cl.
What is the InChIKey of (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine?
The InChIKey is JUIBTWQRUOLMMG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12ClN3/c1-6(10)5-12-8-7(9)3-2-4-11-8/h2-4,6H,5,10H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine?
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine has a molecular weight of 185.66 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 142991116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).