[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol

C14H23ClN2O — CID 102915156

IUPAC[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
SMILESCC(C)C(CNc1ncc(CO)cc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2O/c1-9(2)12(10(3)4)7-17-14-13(15)5-11(8-18)6-16-14/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,16,17)
InChIKeyDIICVEOXQJVURW-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.57
Rot. Bonds6

About [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol

[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol (PubChem CID 102915156) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
PubChem CID102915156
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
SMILESCC(C)C(CNc1ncc(CO)cc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2O/c1-9(2)12(10(3)4)7-17-14-13(15)5-11(8-18)6-16-14/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,16,17)
InChIKeyDIICVEOXQJVURW-UHFFFAOYSA-N
XLogP3.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol (CID 102915156) is [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol is CC(C)C(CNc1ncc(CO)cc1Cl)C(C)C.
What is the InChIKey of [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol?
The InChIKey is DIICVEOXQJVURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-9(2)12(10(3)4)7-17-14-13(15)5-11(8-18)6-16-14/h5-6,9-10,12,18H,7-8H2,1-4H3,(H,16,17).
What are the key properties of [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol has a molecular weight of 270.80 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 102915156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).