CID 51031907

C12H10NO2 — CID 51031907

IUPAC—
SMILESO=C(OC[C]1[CH][CH][CH][CH]1)c1cccnc1
InChIInChI=1S/C12H10NO2/c14-12(11-6-3-7-13-8-11)15-9-10-4-1-2-5-10/h1-8H,9H2
InChIKeyBMEJFTJGTBQZIJ-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.64
Rot. Bonds3

About CID 51031907

CID 51031907 (PubChem CID 51031907) has the molecular formula C12H10NO2 and a molecular weight of 200.22 g/mol.

Molecular Properties

Compound NameCID 51031907
PubChem CID51031907
Molecular FormulaC12H10NO2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name—
SMILESO=C(OC[C]1[CH][CH][CH][CH]1)c1cccnc1
InChIInChI=1S/C12H10NO2/c14-12(11-6-3-7-13-8-11)15-9-10-4-1-2-5-10/h1-8H,9H2
InChIKeyBMEJFTJGTBQZIJ-UHFFFAOYSA-N
XLogP1.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
(4-phenylphenyl)methyl pyridine-3-carboxylate
CID 9414004
2-oxopropyl pyridine-3-carboxylate
CID 69192363
2-oxoethyl pyridine-3-carboxylate
CID 54542225
(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
CID 53249666
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
benzyl pyridine-3-carboxylate;2-hydroxybenzoic acid
CID 162157539
(111C)methyl pyridine-3-carboxylate
CID 11309537
hydrazinyl pyridine-3-carboxylate
CID 22603598

Frequently Asked Questions

What is the IUPAC name of CID 51031907?
The IUPAC name of CID 51031907 (CID 51031907) is not available.
What is the SMILES notation for CID 51031907?
The canonical SMILES for CID 51031907 is O=C(OC[C]1[CH][CH][CH][CH]1)c1cccnc1.
What is the InChIKey of CID 51031907?
The InChIKey is BMEJFTJGTBQZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO2/c14-12(11-6-3-7-13-8-11)15-9-10-4-1-2-5-10/h1-8H,9H2.
What are the key properties of CID 51031907?
CID 51031907 has a molecular weight of 200.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51031907 is sourced from PubChem (CID 51031907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).