2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol

C8H11ClN2O2 — CID 65314143

IUPAC2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
SMILESOCC(CO)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O2/c9-6-1-2-8(10-3-6)11-7(4-12)5-13/h1-3,7,12-13H,4-5H2,(H,10,11)
InChIKeyBDGJIBQUUDBNOO-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.50
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol

2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol (PubChem CID 65314143) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
PubChem CID65314143
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
SMILESOCC(CO)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H11ClN2O2/c9-6-1-2-8(10-3-6)11-7(4-12)5-13/h1-3,7,12-13H,4-5H2,(H,10,11)
InChIKeyBDGJIBQUUDBNOO-UHFFFAOYSA-N
XLogP0.50
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
N-[bis(phosphanyl)methyl]-5-chloropyridin-2-amine
CID 118465848
5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
CID 130639953
[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
CID 71214104
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol (CID 65314143) is 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol is OCC(CO)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol?
The InChIKey is BDGJIBQUUDBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c9-6-1-2-8(10-3-6)11-7(4-12)5-13/h1-3,7,12-13H,4-5H2,(H,10,11).
What are the key properties of 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol?
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol has a molecular weight of 202.64 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol is sourced from PubChem (CID 65314143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).