1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol

C9H13ClN2O2 — CID 171857436

IUPAC1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ncccc1Cl
InChIInChI=1S/C9H13ClN2O2/c1-11-5-7(13)9(14)8-6(10)3-2-4-12-8/h2-4,7,9,11,13-14H,5H2,1H3
InChIKeyYZSSLTPIXWUJLV-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.35
Rot. Bonds4

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

1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857436) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857436
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ncccc1Cl
InChIInChI=1S/C9H13ClN2O2/c1-11-5-7(13)9(14)8-6(10)3-2-4-12-8/h2-4,7,9,11,13-14H,5H2,1H3
InChIKeyYZSSLTPIXWUJLV-UHFFFAOYSA-N
XLogP0.35
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900436
S-[3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821404
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942
3-(methylamino)-1-(2,3,6-trichlorophenyl)propane-1,2-diol
CID 171859151
3-(3-chloro-2-pyridinyl)-N,4-dimethylpentan-2-amine
CID 63198063
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
(2R)-3-(2-chloro-6-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)propan-1-amine
CID 167169300
3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
CID 171859145
1-(3-chloro-2-pyridinyl)-N-methylprop-2-yn-1-amine
CID 103444052

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol (CID 171857436) is 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is YZSSLTPIXWUJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-11-5-7(13)9(14)8-6(10)3-2-4-12-8/h2-4,7,9,11,13-14H,5H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol?
1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 216.67 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).