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

C12H19ClN2O — CID 61255196

IUPAC[3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol
SMILESCCCC(C)N(C)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H19ClN2O/c1-4-5-9(2)15(3)12-7-6-10(13)11(8-16)14-12/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyVUUZCJWRRSEFGM-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.85
Rot. Bonds5

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

[3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol (PubChem CID 61255196) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol
PubChem CID61255196
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol
SMILESCCCC(C)N(C)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C12H19ClN2O/c1-4-5-9(2)15(3)12-7-6-10(13)11(8-16)14-12/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyVUUZCJWRRSEFGM-UHFFFAOYSA-N
XLogP2.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol (CID 61255196) is [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol is CCCC(C)N(C)c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol?
The InChIKey is VUUZCJWRRSEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-5-9(2)15(3)12-7-6-10(13)11(8-16)14-12/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol has a molecular weight of 242.75 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[methyl(pentan-2-yl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 61255196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).