3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol

C8H12ClN3O — CID 115473663

IUPAC3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
SMILESNc1ccc(Cl)nc1NCCCO
InChIInChI=1S/C8H12ClN3O/c9-7-3-2-6(10)8(12-7)11-4-1-5-13/h2-3,13H,1,4-5,10H2,(H,11,12)
InChIKeyJBBGGEDNWUTEQJ-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.11
Rot. Bonds4

About 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol

3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol (PubChem CID 115473663) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
PubChem CID115473663
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
SMILESNc1ccc(Cl)nc1NCCCO
InChIInChI=1S/C8H12ClN3O/c9-7-3-2-6(10)8(12-7)11-4-1-5-13/h2-3,13H,1,4-5,10H2,(H,11,12)
InChIKeyJBBGGEDNWUTEQJ-UHFFFAOYSA-N
XLogP1.11
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
CID 115474252
6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
CID 115474112
2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
CID 167350764
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol (CID 115473663) is 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol is Nc1ccc(Cl)nc1NCCCO.
What is the InChIKey of 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is JBBGGEDNWUTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-7-3-2-6(10)8(12-7)11-4-1-5-13/h2-3,13H,1,4-5,10H2,(H,11,12).
What are the key properties of 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol?
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 201.66 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 115473663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).