5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol

C11H18ClN3O — CID 107197978

IUPAC5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O/c1-15(7-3-2-4-8-16)11-9(13)5-6-10(12)14-11/h5-6,16H,2-4,7-8,13H2,1H3
InChIKeyMEEIMZCWQZXDQF-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.92
Rot. Bonds6

About 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol

5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol (PubChem CID 107197978) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
PubChem CID107197978
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O/c1-15(7-3-2-4-8-16)11-9(13)5-6-10(12)14-11/h5-6,16H,2-4,7-8,13H2,1H3
InChIKeyMEEIMZCWQZXDQF-UHFFFAOYSA-N
XLogP1.92
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197760
5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397
5-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]pentan-1-ol
CID 107201841
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
CID 107201186

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol (CID 107197978) is 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol is CN(CCCCCO)c1nc(Cl)ccc1N.
What is the InChIKey of 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol?
The InChIKey is MEEIMZCWQZXDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15(7-3-2-4-8-16)11-9(13)5-6-10(12)14-11/h5-6,16H,2-4,7-8,13H2,1H3.
What are the key properties of 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol?
5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107197978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).