CID 175714264

C9H9LiNO2 — CID 175714264

IUPAC—
SMILESO=C(O)c1cccc(C2CC2)n1.[Li]
InChIInChI=1S/C9H9NO2.Li/c11-9(12)8-3-1-2-7(10-8)6-4-5-6;/h1-3,6H,4-5H2,(H,11,12);
InChIKeyRRMNFOFEKXLYQH-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.28
Rot. Bonds2

About CID 175714264

CID 175714264 (PubChem CID 175714264) has the molecular formula C9H9LiNO2 and a molecular weight of 170.12 g/mol.

Molecular Properties

Compound NameCID 175714264
PubChem CID175714264
Molecular FormulaC9H9LiNO2
Molecular Weight170.12 g/mol
Exact Mass170.08
IUPAC Name—
SMILESO=C(O)c1cccc(C2CC2)n1.[Li]
InChIInChI=1S/C9H9NO2.Li/c11-9(12)8-3-1-2-7(10-8)6-4-5-6;/h1-3,6H,4-5H2,(H,11,12);
InChIKeyRRMNFOFEKXLYQH-UHFFFAOYSA-N
XLogP1.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-difluorocyclopropyl)pyridine-2-carboxylic acid
CID 171477788
N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
CID 57339501
CID 91986542
CID 91986542
6-cyclopropyloxypyridine-2-carboxylic acid
CID 146463026
6-(cyclopent-3-ene-1-carbonylamino)pyridine-2-carboxylic acid
CID 64767181
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
4-acetyl-6-cyclopropylpyridine-2-carboxylic acid
CID 164869467
6-(oxan-4-ylmethoxy)pyridine-2-carboxylic acid
CID 55066392
6-(piperidin-4-ylmethoxy)pyridine-2-carboxylic acid
CID 51063759
2-[(6-cyclopropyl-2-pyridinyl)-methylamino]propanoic acid
CID 83837720
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349

Frequently Asked Questions

What is the IUPAC name of CID 175714264?
The IUPAC name of CID 175714264 (CID 175714264) is not available.
What is the SMILES notation for CID 175714264?
The canonical SMILES for CID 175714264 is O=C(O)c1cccc(C2CC2)n1.[Li].
What is the InChIKey of CID 175714264?
The InChIKey is RRMNFOFEKXLYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.Li/c11-9(12)8-3-1-2-7(10-8)6-4-5-6;/h1-3,6H,4-5H2,(H,11,12);.
What are the key properties of CID 175714264?
CID 175714264 has a molecular weight of 170.12 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175714264 is sourced from PubChem (CID 175714264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).