(6-chloro-5-propoxy-2-pyridinyl)methanol

C9H12ClNO2 — CID 42626276

IUPAC(6-chloro-5-propoxy-2-pyridinyl)methanol
SMILESCCCOc1ccc(CO)nc1Cl
InChIInChI=1S/C9H12ClNO2/c1-2-5-13-8-4-3-7(6-12)11-9(8)10/h3-4,12H,2,5-6H2,1H3
InChIKeyMMDKIXXNBDCSLW-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.02
Rot. Bonds4

About (6-chloro-5-propoxy-2-pyridinyl)methanol

(6-chloro-5-propoxy-2-pyridinyl)methanol (PubChem CID 42626276) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (6-chloro-5-propoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-chloro-5-propoxy-2-pyridinyl)methanol
PubChem CID42626276
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(6-chloro-5-propoxy-2-pyridinyl)methanol
SMILESCCCOc1ccc(CO)nc1Cl
InChIInChI=1S/C9H12ClNO2/c1-2-5-13-8-4-3-7(6-12)11-9(8)10/h3-4,12H,2,5-6H2,1H3
InChIKeyMMDKIXXNBDCSLW-UHFFFAOYSA-N
XLogP2.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-iodo-3-propoxypyridine
CID 53440871
(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol
CID 59504182
2-[(2-chloro-6-methyl-3-pyridinyl)oxy]ethanol
CID 130686147
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]ethanol
CID 86730942
[6-(2-propoxyphenoxy)pyrazin-2-yl]methanol
CID 66467765
5-chloro-2-propoxybenzoyl chloride
CID 12863236
[6-(2-propoxyethoxy)pyridazin-3-yl]methanol
CID 63684568
(2,6-difluoro-3-propoxyphenyl)methanol
CID 163198202
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine
CID 154734283
(NE)-N-[1-(5-chloro-2-propoxyphenyl)ethylidene]hydroxylamine
CID 82081262

Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-propoxy-2-pyridinyl)methanol?
The IUPAC name of (6-chloro-5-propoxy-2-pyridinyl)methanol (CID 42626276) is (6-chloro-5-propoxy-2-pyridinyl)methanol.
What is the SMILES notation for (6-chloro-5-propoxy-2-pyridinyl)methanol?
The canonical SMILES for (6-chloro-5-propoxy-2-pyridinyl)methanol is CCCOc1ccc(CO)nc1Cl.
What is the InChIKey of (6-chloro-5-propoxy-2-pyridinyl)methanol?
The InChIKey is MMDKIXXNBDCSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-2-5-13-8-4-3-7(6-12)11-9(8)10/h3-4,12H,2,5-6H2,1H3.
What are the key properties of (6-chloro-5-propoxy-2-pyridinyl)methanol?
(6-chloro-5-propoxy-2-pyridinyl)methanol has a molecular weight of 201.65 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-propoxy-2-pyridinyl)methanol is sourced from PubChem (CID 42626276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).