2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol

C12H19ClN2O — CID 80558572

IUPAC2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol
SMILESCCCCCC(C)(O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H19ClN2O/c1-3-4-5-6-12(2,16)10-7-9(13)8-15-11(10)14/h7-8,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyWGNVSEUDNWFUNN-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol

2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol (PubChem CID 80558572) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol
PubChem CID80558572
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol
SMILESCCCCCC(C)(O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H19ClN2O/c1-3-4-5-6-12(2,16)10-7-9(13)8-15-11(10)14/h7-8,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyWGNVSEUDNWFUNN-UHFFFAOYSA-N
XLogP3.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol
CID 116535966
1-(2-amino-5-chloro-3-pyridinyl)-1-cyclohexylethanol
CID 114795065
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
CID 116556739
4-[1-(2-amino-5-chloro-3-pyridinyl)-1-hydroxyethyl]benzonitrile
CID 115481585
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
2-pyrazin-2-ylheptan-2-ol
CID 80558599
2-(2-bromophenyl)octan-2-ol
CID 65145246
13-methylheptacosan-13-ol
CID 87343529
5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
CID 155370865
5-chloro-3-(1-hydrazinylpentyl)pyridin-2-amine
CID 105245743
1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one
CID 79062827
2-(2,3-difluorophenyl)octan-2-ol
CID 114059370

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol?
The IUPAC name of 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol (CID 80558572) is 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol.
What is the SMILES notation for 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol?
The canonical SMILES for 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol is CCCCCC(C)(O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol?
The InChIKey is WGNVSEUDNWFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-4-5-6-12(2,16)10-7-9(13)8-15-11(10)14/h7-8,16H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol?
2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol is sourced from PubChem (CID 80558572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).