methyl 4-propan-2-yloxypyridine-3-carboxylate

C10H13NO3 — CID 132587581

IUPACmethyl 4-propan-2-yloxypyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1OC(C)C
InChIInChI=1S/C10H13NO3/c1-7(2)14-9-4-5-11-6-8(9)10(12)13-3/h4-7H,1-3H3
InChIKeyFDTXCHIMSJBPKY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.66
Rot. Bonds3

About methyl 4-propan-2-yloxypyridine-3-carboxylate

methyl 4-propan-2-yloxypyridine-3-carboxylate (PubChem CID 132587581) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-propan-2-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-propan-2-yloxypyridine-3-carboxylate
PubChem CID132587581
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 4-propan-2-yloxypyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1OC(C)C
InChIInChI=1S/C10H13NO3/c1-7(2)14-9-4-5-11-6-8(9)10(12)13-3/h4-7H,1-3H3
InChIKeyFDTXCHIMSJBPKY-UHFFFAOYSA-N
XLogP1.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 84676126
methyl 4-(2-methylbutoxy)pyridine-3-carboxylate
CID 132587596
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
methyl 3-chloropyridine-4-carboxylate
CID 15324397
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
methyl 4-(3-phenylpropoxy)pyridine-3-carboxylate
CID 132587685
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462

Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-yloxypyridine-3-carboxylate?
The IUPAC name of methyl 4-propan-2-yloxypyridine-3-carboxylate (CID 132587581) is methyl 4-propan-2-yloxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-propan-2-yloxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-propan-2-yloxypyridine-3-carboxylate is COC(=O)c1cnccc1OC(C)C.
What is the InChIKey of methyl 4-propan-2-yloxypyridine-3-carboxylate?
The InChIKey is FDTXCHIMSJBPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)14-9-4-5-11-6-8(9)10(12)13-3/h4-7H,1-3H3.
What are the key properties of methyl 4-propan-2-yloxypyridine-3-carboxylate?
methyl 4-propan-2-yloxypyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-yloxypyridine-3-carboxylate is sourced from PubChem (CID 132587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).