(1-cyclopropylcyclopropyl) pyridine-2-carboxylate

C12H13NO2 — CID 71974826

IUPAC(1-cyclopropylcyclopropyl) pyridine-2-carboxylate
SMILESO=C(OC1(C2CC2)CC1)c1ccccn1
InChIInChI=1S/C12H13NO2/c14-11(10-3-1-2-8-13-10)15-12(6-7-12)9-4-5-9/h1-3,8-9H,4-7H2
InChIKeyNIFSNHONUWTSIA-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.18
Rot. Bonds3

About (1-cyclopropylcyclopropyl) pyridine-2-carboxylate

(1-cyclopropylcyclopropyl) pyridine-2-carboxylate (PubChem CID 71974826) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (1-cyclopropylcyclopropyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(1-cyclopropylcyclopropyl) pyridine-2-carboxylate
PubChem CID71974826
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(1-cyclopropylcyclopropyl) pyridine-2-carboxylate
SMILESO=C(OC1(C2CC2)CC1)c1ccccn1
InChIInChI=1S/C12H13NO2/c14-11(10-3-1-2-8-13-10)15-12(6-7-12)9-4-5-9/h1-3,8-9H,4-7H2
InChIKeyNIFSNHONUWTSIA-UHFFFAOYSA-N
XLogP2.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl pyridine-2-carboxylate
CID 130016226
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
ethyl pyridine-2-carboxylate
CID 17307
pyrrolidin-1-yl pyridine-2-carboxylate
CID 118695121
[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate
CID 125476983
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
prop-1-ynyl pyridine-2-carboxylate
CID 146626956
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
gadolinium;pyridine-2-carboxylic acid
CID 175231422
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
ethane;pyridine-2-carbonyl fluoride
CID 161184414
3-oxo-3-pyridin-2-ylpropanal
CID 22486385

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylcyclopropyl) pyridine-2-carboxylate?
The IUPAC name of (1-cyclopropylcyclopropyl) pyridine-2-carboxylate (CID 71974826) is (1-cyclopropylcyclopropyl) pyridine-2-carboxylate.
What is the SMILES notation for (1-cyclopropylcyclopropyl) pyridine-2-carboxylate?
The canonical SMILES for (1-cyclopropylcyclopropyl) pyridine-2-carboxylate is O=C(OC1(C2CC2)CC1)c1ccccn1.
What is the InChIKey of (1-cyclopropylcyclopropyl) pyridine-2-carboxylate?
The InChIKey is NIFSNHONUWTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11(10-3-1-2-8-13-10)15-12(6-7-12)9-4-5-9/h1-3,8-9H,4-7H2.
What are the key properties of (1-cyclopropylcyclopropyl) pyridine-2-carboxylate?
(1-cyclopropylcyclopropyl) pyridine-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylcyclopropyl) pyridine-2-carboxylate is sourced from PubChem (CID 71974826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).