(2-propoxy-4-pyridinyl)methanol

C9H13NO2 — CID 61256143

IUPAC(2-propoxy-4-pyridinyl)methanol
SMILESCCCOc1cc(CO)ccn1
InChIInChI=1S/C9H13NO2/c1-2-5-12-9-6-8(7-11)3-4-10-9/h3-4,6,11H,2,5,7H2,1H3
InChIKeyODASLRFCQWACJW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.36
Rot. Bonds4

About (2-propoxy-4-pyridinyl)methanol

(2-propoxy-4-pyridinyl)methanol (PubChem CID 61256143) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2-propoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-propoxy-4-pyridinyl)methanol
PubChem CID61256143
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2-propoxy-4-pyridinyl)methanol
SMILESCCCOc1cc(CO)ccn1
InChIInChI=1S/C9H13NO2/c1-2-5-12-9-6-8(7-11)3-4-10-9/h3-4,6,11H,2,5,7H2,1H3
InChIKeyODASLRFCQWACJW-UHFFFAOYSA-N
XLogP1.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 61256549
[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
CID 102740402
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
4-iodo-2-propoxypyridine
CID 66614410
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
CID 82007049
4-(piperidin-1-ylmethyl)-2-propoxypyridine
CID 54041616
[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
N-[[2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 55231672
[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
CID 55245584
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143

Frequently Asked Questions

What is the IUPAC name of (2-propoxy-4-pyridinyl)methanol?
The IUPAC name of (2-propoxy-4-pyridinyl)methanol (CID 61256143) is (2-propoxy-4-pyridinyl)methanol.
What is the SMILES notation for (2-propoxy-4-pyridinyl)methanol?
The canonical SMILES for (2-propoxy-4-pyridinyl)methanol is CCCOc1cc(CO)ccn1.
What is the InChIKey of (2-propoxy-4-pyridinyl)methanol?
The InChIKey is ODASLRFCQWACJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-12-9-6-8(7-11)3-4-10-9/h3-4,6,11H,2,5,7H2,1H3.
What are the key properties of (2-propoxy-4-pyridinyl)methanol?
(2-propoxy-4-pyridinyl)methanol has a molecular weight of 167.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxy-4-pyridinyl)methanol is sourced from PubChem (CID 61256143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).