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

C12H19ClN2O — CID 61257693

IUPAC[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCC(C)C(C)N(C)c1ncc(CO)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-8(2)9(3)15(4)12-11(13)5-10(7-16)6-14-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyWQNBRIYSSOCTGW-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.71
Rot. Bonds4

About [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol

[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol (PubChem CID 61257693) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
PubChem CID61257693
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol
SMILESCC(C)C(C)N(C)c1ncc(CO)cc1Cl
InChIInChI=1S/C12H19ClN2O/c1-8(2)9(3)15(4)12-11(13)5-10(7-16)6-14-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyWQNBRIYSSOCTGW-UHFFFAOYSA-N
XLogP2.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol (CID 61257693) is [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol is CC(C)C(C)N(C)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
The InChIKey is WQNBRIYSSOCTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(2)9(3)15(4)12-11(13)5-10(7-16)6-14-12/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol has a molecular weight of 242.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl(3-methylbutan-2-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 61257693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).