[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol

C13H19ClN2O2 — CID 61435500

IUPAC[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
SMILESCCN(CC1CCCO1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C13H19ClN2O2/c1-2-16(8-10-4-3-7-18-10)13-6-5-11(14)12(9-17)15-13/h5-6,10,17H,2-4,7-9H2,1H3
InChIKeyBBGZYFMFJSQEAE-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.23
Rot. Bonds5

About [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol

[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol (PubChem CID 61435500) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
PubChem CID61435500
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol
SMILESCCN(CC1CCCO1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C13H19ClN2O2/c1-2-16(8-10-4-3-7-18-10)13-6-5-11(14)12(9-17)15-13/h5-6,10,17H,2-4,7-9H2,1H3
InChIKeyBBGZYFMFJSQEAE-UHFFFAOYSA-N
XLogP2.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293192
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62293193
[3-chloro-6-[methyl(oxan-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 63713496
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 61433721
[1-[ethyl(oxolan-2-ylmethyl)amino]isoquinolin-3-yl]methanol
CID 61435603
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol
CID 54949040
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
N-ethyl-6-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridazin-3-amine
CID 133274088
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylaminomethyl)pyridin-2-amine
CID 63938138

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol (CID 61435500) is [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol is CCN(CC1CCCO1)c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol?
The InChIKey is BBGZYFMFJSQEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-16(8-10-4-3-7-18-10)13-6-5-11(14)12(9-17)15-13/h5-6,10,17H,2-4,7-9H2,1H3.
What are the key properties of [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol has a molecular weight of 270.76 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[ethyl(oxolan-2-ylmethyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 61435500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).