3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol

C9H13ClN2O — CID 84669773

IUPAC3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cc(Cl)cnc1C(O)CCN
InChIInChI=1S/C9H13ClN2O/c1-6-4-7(10)5-12-9(6)8(13)2-3-11/h4-5,8,13H,2-3,11H2,1H3
InChIKeyJOIOXPDTLURMMK-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol

3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol (PubChem CID 84669773) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol
PubChem CID84669773
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cc(Cl)cnc1C(O)CCN
InChIInChI=1S/C9H13ClN2O/c1-6-4-7(10)5-12-9(6)8(13)2-3-11/h4-5,8,13H,2-3,11H2,1H3
InChIKeyJOIOXPDTLURMMK-UHFFFAOYSA-N
XLogP1.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(5-chloro-3-methyl-2-pyridinyl)propane-1,2-diol
CID 171861743
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
CID 169267261
3-amino-1-(2,5-dichloro-4-pyridinyl)propan-1-ol
CID 84686361
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
4-(5-chloro-3-methyl-2-pyridinyl)but-3-en-1-amine
CID 170486654
5-(3-amino-1-hydroxypropyl)-2-chloro-3,6-dimethylphenol
CID 84793357
(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365542
3-amino-1-(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 84701593
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
3-(5-chloro-3-methyl-2-pyridinyl)prop-2-en-1-amine
CID 169463294
3-amino-1-(3-chloro-5-propan-2-ylphenyl)propan-1-ol
CID 84791946

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol (CID 84669773) is 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol is Cc1cc(Cl)cnc1C(O)CCN.
What is the InChIKey of 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is JOIOXPDTLURMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6-4-7(10)5-12-9(6)8(13)2-3-11/h4-5,8,13H,2-3,11H2,1H3.
What are the key properties of 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol?
3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 84669773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).