4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine

C10H8N6 — CID 135526581

IUPAC4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine
SMILESc1cc(-c2c[nH]c(-c3nn[nH]n3)c2)ccn1
InChIInChI=1S/C10H8N6/c1-3-11-4-2-7(1)8-5-9(12-6-8)10-13-15-16-14-10/h1-6,12H,(H,13,14,15,16)
InChIKeyTYCXOJFQIMPRAM-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.26
Rot. Bonds2

About 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine

4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine (PubChem CID 135526581) has the molecular formula C10H8N6 and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine
PubChem CID135526581
Molecular FormulaC10H8N6
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine
SMILESc1cc(-c2c[nH]c(-c3nn[nH]n3)c2)ccn1
InChIInChI=1S/C10H8N6/c1-3-11-4-2-7(1)8-5-9(12-6-8)10-13-15-16-14-10/h1-6,12H,(H,13,14,15,16)
InChIKeyTYCXOJFQIMPRAM-UHFFFAOYSA-N
XLogP1.26
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2H-tetrazol-5-yl)thiophen-2-yl]pyridine
CID 66857019
ethane;4-[5-[3-(5-pyridin-4-yl-1H-pyrrol-2-yl)phenyl]-1H-pyrrol-2-yl]pyridine;2-[4-[3-(5-pyrimidin-2-yl-1H-pyrrol-3-yl)phenyl]-1H-pyrrol-2-yl]pyrimidine
CID 144790724
3-[(E)-2-(2,6-dimethyl-4-pyridin-4-ylphenyl)ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164628585
4-(5-propyl-1H-pyrrol-3-yl)pyridine
CID 91212718
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3,5-dipyridin-4-yl-1H-pyridin-2-one
CID 46316548
4-pyridin-4-yl-1H-pyrrole-2-carbonitrile
CID 23390220
(NE)-N-[1-[4-(2H-tetrazol-5-yl)-2-pyridinyl]ethylidene]hydroxylamine
CID 137251911
3-hydroxy-5-pyridin-4-yl-1H-pyridin-2-one
CID 20517045
6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-3,4-dihydro-2H-1,4-benzothiazine
CID 141011061
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
gold;4-pyridin-4-ylpyridine
CID 159917709

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine (CID 135526581) is 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine is c1cc(-c2c[nH]c(-c3nn[nH]n3)c2)ccn1.
What is the InChIKey of 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine?
The InChIKey is TYCXOJFQIMPRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6/c1-3-11-4-2-7(1)8-5-9(12-6-8)10-13-15-16-14-10/h1-6,12H,(H,13,14,15,16).
What are the key properties of 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine?
4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine has a molecular weight of 212.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2H-tetrazol-5-yl)-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 135526581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).