[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol

C12H17ClN2O — CID 62861534

IUPAC[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol
SMILESCN(CC1CCC1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H17ClN2O/c1-15(7-9-3-2-4-9)12-6-5-10(13)11(8-16)14-12/h5-6,9,16H,2-4,7-8H2,1H3
InChIKeyXYPVMKLWOSFHGM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.46
Rot. Bonds4

About [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol

[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol (PubChem CID 62861534) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol
PubChem CID62861534
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol
SMILESCN(CC1CCC1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H17ClN2O/c1-15(7-9-3-2-4-9)12-6-5-10(13)11(8-16)14-12/h5-6,9,16H,2-4,7-8H2,1H3
InChIKeyXYPVMKLWOSFHGM-UHFFFAOYSA-N
XLogP2.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol (CID 62861534) is [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol is CN(CC1CCC1)c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol?
The InChIKey is XYPVMKLWOSFHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(7-9-3-2-4-9)12-6-5-10(13)11(8-16)14-12/h5-6,9,16H,2-4,7-8H2,1H3.
What are the key properties of [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol has a molecular weight of 240.73 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 62861534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).