3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol

C8H11ClN2O2 — CID 170827537

IUPAC3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Cl)ccn1
InChIInChI=1S/C8H11ClN2O2/c9-5-1-2-11-6(3-5)8(13)7(12)4-10/h1-3,7-8,12-13H,4,10H2
InChIKeyRCJPRSLLFHQSOU-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol

3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol (PubChem CID 170827537) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
PubChem CID170827537
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Cl)ccn1
InChIInChI=1S/C8H11ClN2O2/c9-5-1-2-11-6(3-5)8(13)7(12)4-10/h1-3,7-8,12-13H,4,10H2
InChIKeyRCJPRSLLFHQSOU-UHFFFAOYSA-N
XLogP0.09
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863547
3-amino-1-(2-methyl-4-pyridinyl)propane-1,2-diol
CID 170827559
1-(4-amino-2-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819333
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
(4-chloro-2-pyridinyl)methanamine
CID 22727148
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
(1R)-1-(4-chloro-2-pyridinyl)-3,3,3-trifluoropropan-1-amine
CID 130641836
1-(4-chloro-2-pyridinyl)prop-2-en-1-amine
CID 55294042
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
CID 170817640
3-amino-1-(2-methoxy-4-pyridinyl)propane-1,2-diol
CID 170827843
1,5-bis(4-chlorophenyl)-1,5-bis(4-chloro-2-pyridinyl)pentan-3-one
CID 175279063

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol (CID 170827537) is 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol is NCC(O)C(O)c1cc(Cl)ccn1.
What is the InChIKey of 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol?
The InChIKey is RCJPRSLLFHQSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-5-1-2-11-6(3-5)8(13)7(12)4-10/h1-3,7-8,12-13H,4,10H2.
What are the key properties of 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol?
3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol has a molecular weight of 202.64 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).