4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine

C19H15N5O — CID 167816492

IUPAC4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H15N5O/c1-25-19-7-4-16(14-8-10-20-11-9-14)12-18(19)15-2-5-17(6-3-15)24-13-21-22-23-24/h2-13H,1H3
InChIKeyFJWDRUKTDZYDIZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.40
Rot. Bonds4

About 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine

4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine (PubChem CID 167816492) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
PubChem CID167816492
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1-c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H15N5O/c1-25-19-7-4-16(14-8-10-20-11-9-14)12-18(19)15-2-5-17(6-3-15)24-13-21-22-23-24/h2-13H,1H3
InChIKeyFJWDRUKTDZYDIZ-UHFFFAOYSA-N
XLogP3.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
(5-acetyl-2-methoxyphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 2535559
1-[4-[(4-bromo-2,5-dimethoxyphenyl)methoxy]phenyl]tetrazole
CID 8900468
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 7500735
4-(tetrazol-1-yl)phenolate
CID 101371881
1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
CID 168525253
3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
CID 156834081
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine?
The IUPAC name of 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine (CID 167816492) is 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine is COc1ccc(-c2ccncc2)cc1-c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine?
The InChIKey is FJWDRUKTDZYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-25-19-7-4-16(14-8-10-20-11-9-14)12-18(19)15-2-5-17(6-3-15)24-13-21-22-23-24/h2-13H,1H3.
What are the key properties of 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine?
4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine has a molecular weight of 329.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 167816492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).