2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine

C10H14ClNO — CID 62470687

IUPAC2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
SMILESCC(C)(C)OCc1cccnc1Cl
InChIInChI=1S/C10H14ClNO/c1-10(2,3)13-7-8-5-4-6-12-9(8)11/h4-6H,7H2,1-3H3
InChIKeyMNUFRMWUQUIGPP-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.05
Rot. Bonds2

About 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine

2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine (PubChem CID 62470687) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
PubChem CID62470687
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
SMILESCC(C)(C)OCc1cccnc1Cl
InChIInChI=1S/C10H14ClNO/c1-10(2,3)13-7-8-5-4-6-12-9(8)11/h4-6H,7H2,1-3H3
InChIKeyMNUFRMWUQUIGPP-UHFFFAOYSA-N
XLogP3.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
2-chloro-3-(4-methylpentoxymethyl)pyridine
CID 62471573
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151373577
2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
CID 62471218
2-chloro-3-(ethylsulfanylmethyl)pyridine
CID 62465007
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 107169110
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine?
The IUPAC name of 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine (CID 62470687) is 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine?
The canonical SMILES for 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine is CC(C)(C)OCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine?
The InChIKey is MNUFRMWUQUIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-10(2,3)13-7-8-5-4-6-12-9(8)11/h4-6H,7H2,1-3H3.
What are the key properties of 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine?
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine has a molecular weight of 199.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine is sourced from PubChem (CID 62470687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).