N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine

C14H14BrFN6 — CID 141296448

IUPACN-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine
SMILESCC1=C(Nc2ccc(Br)cc2F)C(c2nn[nH]n2)=CN(C)C1
InChIInChI=1S/C14H14BrFN6/c1-8-6-22(2)7-10(14-18-20-21-19-14)13(8)17-12-4-3-9(15)5-11(12)16/h3-5,7,17H,6H2,1-2H3,(H,18,19,20,21)
InChIKeyRUEMSORUPJFMOM-UHFFFAOYSA-N
MW365.21 g/mol
LogP2.77
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine

N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine (PubChem CID 141296448) has the molecular formula C14H14BrFN6 and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine
PubChem CID141296448
Molecular FormulaC14H14BrFN6
Molecular Weight365.21 g/mol
Exact Mass364.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine
SMILESCC1=C(Nc2ccc(Br)cc2F)C(c2nn[nH]n2)=CN(C)C1
InChIInChI=1S/C14H14BrFN6/c1-8-6-22(2)7-10(14-18-20-21-19-14)13(8)17-12-4-3-9(15)5-11(12)16/h3-5,7,17H,6H2,1-2H3,(H,18,19,20,21)
InChIKeyRUEMSORUPJFMOM-UHFFFAOYSA-N
XLogP2.77
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine (CID 141296448) is N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine is CC1=C(Nc2ccc(Br)cc2F)C(c2nn[nH]n2)=CN(C)C1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine?
The InChIKey is RUEMSORUPJFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN6/c1-8-6-22(2)7-10(14-18-20-21-19-14)13(8)17-12-4-3-9(15)5-11(12)16/h3-5,7,17H,6H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine?
N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine has a molecular weight of 365.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-(2H-tetrazol-5-yl)-2H-pyridin-4-amine is sourced from PubChem (CID 141296448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).