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

C10H15ClN2O2 — CID 107866027

IUPAC2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-2-10(6-14,7-15)13-9-8(11)4-3-5-12-9/h3-5,14-15H,2,6-7H2,1H3,(H,12,13)
InChIKeyFFOGNOOLSBFONV-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.28
Rot. Bonds5

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

2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866027) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866027
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-2-10(6-14,7-15)13-9-8(11)4-3-5-12-9/h3-5,14-15H,2,6-7H2,1H3,(H,12,13)
InChIKeyFFOGNOOLSBFONV-UHFFFAOYSA-N
XLogP1.28
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 114010653
2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
CID 62519572
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811134
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 107867364
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol
CID 62521090
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (CID 107866027) is 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is FFOGNOOLSBFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-2-10(6-14,7-15)13-9-8(11)4-3-5-12-9/h3-5,14-15H,2,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 230.69 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).