(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

C11H8FN5O2 — CID 135763726

IUPAC(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=C[C@@H](c2ccccc2F)n2nnnc2N1
InChIInChI=1S/C11H8FN5O2/c12-7-4-2-1-3-6(7)9-5-8(10(18)19)13-11-14-15-16-17(9)11/h1-5,9H,(H,18,19)(H,13,14,16)/t9-/m0/s1
InChIKeyWVWHNVZWMSFXLK-VIFPVBQESA-N
MW261.22 g/mol
LogP0.80
Rot. Bonds2

About (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid

(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 135763726) has the molecular formula C11H8FN5O2 and a molecular weight of 261.22 g/mol. Its IUPAC name is (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID135763726
Molecular FormulaC11H8FN5O2
Molecular Weight261.22 g/mol
Exact Mass261.07
IUPAC Name(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)C1=C[C@@H](c2ccccc2F)n2nnnc2N1
InChIInChI=1S/C11H8FN5O2/c12-7-4-2-1-3-6(7)9-5-8(10(18)19)13-11-14-15-16-17(9)11/h1-5,9H,(H,18,19)(H,13,14,16)/t9-/m0/s1
InChIKeyWVWHNVZWMSFXLK-VIFPVBQESA-N
XLogP0.80
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-7-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763718
7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135756433
1-[7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2978103
(7R)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763736
7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135476932
(7S)-7-(4-bromophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135763714
(7R)-7-(2-fluorophenyl)-5-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135726819
(7R)-7-(2,5-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135556988
(7S)-7-(3-methoxy-2-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136668332
(7S)-7-(3-propan-2-yloxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136668382
7-(2-fluorophenyl)-5-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2968242
(7S)-7-(2-fluorophenyl)-5-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 758413

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 135763726) is (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)C1=C[C@@H](c2ccccc2F)n2nnnc2N1.
What is the InChIKey of (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is WVWHNVZWMSFXLK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H8FN5O2/c12-7-4-2-1-3-6(7)9-5-8(10(18)19)13-11-14-15-16-17(9)11/h1-5,9H,(H,18,19)(H,13,14,16)/t9-/m0/s1.
What are the key properties of (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
(7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 261.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135763726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).