3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol

C16H19ClN2O3 — CID 167499748

IUPAC3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol
SMILESCc1c(Cl)cccc1Nc1ncccc1COCC(O)CO
InChIInChI=1S/C16H19ClN2O3/c1-11-14(17)5-2-6-15(11)19-16-12(4-3-7-18-16)9-22-10-13(21)8-20/h2-7,13,20-21H,8-10H2,1H3,(H,18,19)
InChIKeyLPRRNSKEHXILDN-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.66
Rot. Bonds7

About 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol

3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol (PubChem CID 167499748) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol
PubChem CID167499748
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol
SMILESCc1c(Cl)cccc1Nc1ncccc1COCC(O)CO
InChIInChI=1S/C16H19ClN2O3/c1-11-14(17)5-2-6-15(11)19-16-12(4-3-7-18-16)9-22-10-13(21)8-20/h2-7,13,20-21H,8-10H2,1H3,(H,18,19)
InChIKeyLPRRNSKEHXILDN-UHFFFAOYSA-N
XLogP2.66
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxypropyl 2-(2,3-dimethylanilino)pyridine-3-carboxylate
CID 158575497
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
[(E)-4-[2-(3-chloro-2-methylanilino)pyridine-3-carbonyl]oxybut-2-enyl] 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
CID 164931481
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid;2,6-diaminohexanoic acid
CID 10047082
2,3-dihydroxypropyl 2-(2,6-dimethylanilino)pyridine-3-carboxylate
CID 21312023
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556305
3-[[4-(2,3-dihydroxypropoxymethyl)naphthalen-1-yl]methoxy]propane-1,2-diol
CID 15536755
3-[[6-(2,3-dihydroxypropoxymethyl)-2-pyridinyl]methoxy]propane-1,2-diol;hydrochloride
CID 70154974
1-(3-chloro-2-methylphenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076066
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80928095

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol?
The IUPAC name of 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol (CID 167499748) is 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol?
The canonical SMILES for 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol is Cc1c(Cl)cccc1Nc1ncccc1COCC(O)CO.
What is the InChIKey of 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol?
The InChIKey is LPRRNSKEHXILDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11-14(17)5-2-6-15(11)19-16-12(4-3-7-18-16)9-22-10-13(21)8-20/h2-7,13,20-21H,8-10H2,1H3,(H,18,19).
What are the key properties of 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol?
3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol has a molecular weight of 322.79 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol is sourced from PubChem (CID 167499748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).