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

C14H11FN6O2 — CID 118665854

IUPAC[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate
SMILESCn1nnc(-c2ccc(-c3ccc(OC(N)=O)cc3F)cn2)n1
InChIInChI=1S/C14H11FN6O2/c1-21-19-13(18-20-21)12-5-2-8(7-17-12)10-4-3-9(6-11(10)15)23-14(16)22/h2-7H,1H3,(H2,16,22)
InChIKeyVQIZIKYRIKBIOW-UHFFFAOYSA-N
MW314.28 g/mol
LogP1.54
Rot. Bonds3

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

[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate (PubChem CID 118665854) has the molecular formula C14H11FN6O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate.

Molecular Properties

Compound Name[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate
PubChem CID118665854
Molecular FormulaC14H11FN6O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate
SMILESCn1nnc(-c2ccc(-c3ccc(OC(N)=O)cc3F)cn2)n1
InChIInChI=1S/C14H11FN6O2/c1-21-19-13(18-20-21)12-5-2-8(7-17-12)10-4-3-9(6-11(10)15)23-14(16)22/h2-7H,1H3,(H2,16,22)
InChIKeyVQIZIKYRIKBIOW-UHFFFAOYSA-N
XLogP1.54
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(5-Fluoro-2''''-methoxy-biphenyl-3-yl)-2H-tetrazol-5-yl]-pyridine
CID 44395504
1-(4-Octylphenoxy)-3-(5-pyridin-2-yltetrazol-2-yl)propan-2-one
CID 153933312
2-[(5-{4-[(2-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)methyl]pyridine
CID 1264276
2-[2-[3-Fluoro-5-[3-(trifluoromethoxy)phenyl]phenyl]tetrazol-5-yl]pyridine
CID 10237675
2-[2-[3-(3-Ethoxyphenyl)-5-fluorophenyl]tetrazol-5-yl]pyridine
CID 57843019
2-[2-[3-Fluoro-5-(3-methoxyphenyl)phenyl]tetrazol-5-yl]pyridine
CID 57843020
2-[2-[3-Fluoro-5-(2-methoxy-5-methylphenyl)phenyl]tetrazol-5-yl]pyridine
CID 57843093
2-[2-[3-Fluoro-5-(4-methoxyphenyl)phenyl]tetrazol-5-yl]pyridine
CID 57843137
5-[3-Fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-2-methoxypyridine
CID 57843172
benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate
CID 73014119
[3-Fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl] trifluoromethanesulfonate
CID 129120763
3-Fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenol
CID 137218465

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate?
The IUPAC name of [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate (CID 118665854) is [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate.
What is the SMILES notation for [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate?
The canonical SMILES for [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate is Cn1nnc(-c2ccc(-c3ccc(OC(N)=O)cc3F)cn2)n1.
What is the InChIKey of [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate?
The InChIKey is VQIZIKYRIKBIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2/c1-21-19-13(18-20-21)12-5-2-8(7-17-12)10-4-3-9(6-11(10)15)23-14(16)22/h2-7H,1H3,(H2,16,22).
What are the key properties of [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate?
[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate has a molecular weight of 314.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl] carbamate is sourced from PubChem (CID 118665854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).