3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol

C13H10FN5O — CID 137218465

IUPAC3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol
SMILESCn1nnc(-c2ccc(-c3ccc(O)cc3F)cn2)n1
InChIInChI=1S/C13H10FN5O/c1-19-17-13(16-18-19)12-5-2-8(7-15-12)10-4-3-9(20)6-11(10)14/h2-7,20H,1H3
InChIKeyYQQNZKKNDSRHGN-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.78
Rot. Bonds2

About 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol

3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol (PubChem CID 137218465) has the molecular formula C13H10FN5O and a molecular weight of 271.26 g/mol. Its IUPAC name is 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol
PubChem CID137218465
Molecular FormulaC13H10FN5O
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol
SMILESCn1nnc(-c2ccc(-c3ccc(O)cc3F)cn2)n1
InChIInChI=1S/C13H10FN5O/c1-19-17-13(16-18-19)12-5-2-8(7-15-12)10-4-3-9(20)6-11(10)14/h2-7,20H,1H3
InChIKeyYQQNZKKNDSRHGN-UHFFFAOYSA-N
XLogP1.78
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Phenol, 2,6-dimethyl-4-[[5-(4-pyridinyl)-1H-1,2,3,4-tetrazol-1-yl]methyl]-
CID 1503698
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395532
3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-ol
CID 44395661
4-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenol
CID 135470346
SMARCA2/4-ligand-6
CID 137029367
3,5-dimethyl-4-{(E)-2-[5-(1H-tetrazol-5-yl)-3-pyridinyl]ethenyl}phenol
CID 16049771
3-Hydroxy-5-(5-pyridin-2-yl-tetrazol-2-yl)-benzonitrile
CID 44404844
3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
CID 53239970
Phenol, 2,6-dimethyl-4-((5-(3-pyridinyl)-2H-tetrazol-2-yl)methyl)-
CID 1503699
4-(5,5-Dimethyl-2-pyridin-2-yl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)phenol
CID 145979471
4-(1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)phenol
CID 52941336
4-[1-(Pyridin-2-ylmethyl)triazol-4-yl]phenol
CID 52942555

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol?
The IUPAC name of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol (CID 137218465) is 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol.
What is the SMILES notation for 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol?
The canonical SMILES for 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol is Cn1nnc(-c2ccc(-c3ccc(O)cc3F)cn2)n1.
What is the InChIKey of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol?
The InChIKey is YQQNZKKNDSRHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c1-19-17-13(16-18-19)12-5-2-8(7-15-12)10-4-3-9(20)6-11(10)14/h2-7,20H,1H3.
What are the key properties of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol?
3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol has a molecular weight of 271.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol is sourced from PubChem (CID 137218465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).