3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine

C14H12FN3 — CID 171371811

IUPAC3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine
SMILESFc1cncc(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C14H12FN3/c15-11-7-10(8-16-9-11)14(12-3-1-5-17-12)13-4-2-6-18-13/h1-9,14,17-18H
InChIKeyIAAYZYFMHXSADV-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.06
Rot. Bonds3

About 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine

3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine (PubChem CID 171371811) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine
PubChem CID171371811
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine
SMILESFc1cncc(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C14H12FN3/c15-11-7-10(8-16-9-11)14(12-3-1-5-17-12)13-4-2-6-18-13/h1-9,14,17-18H
InChIKeyIAAYZYFMHXSADV-UHFFFAOYSA-N
XLogP3.06
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 10807638
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
(5-fluoro-3-pyridinyl)-(furan-2-yl)methanol
CID 62716120
8-[pyridin-3-yl(1H-pyrrol-2-yl)methyl]quinoline
CID 59419682
2-[(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371823
2-[[4-[4-[4-[bis(1H-pyrrol-2-yl)methyl]phenoxy]butoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 132500856
3-(1-chloropropyl)-5-fluoropyridine
CID 130480294
3-[chloro(nitroso)methyl]-5-fluoropyridine
CID 90937906
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
[[hydroxy(1H-pyrrol-2-yl)methyl]amino]-pyridin-3-ylmethanol
CID 90987207
(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410799

Frequently Asked Questions

What is the IUPAC name of 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine?
The IUPAC name of 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine (CID 171371811) is 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine?
The canonical SMILES for 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine is Fc1cncc(C(c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine?
The InChIKey is IAAYZYFMHXSADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-7-10(8-16-9-11)14(12-3-1-5-17-12)13-4-2-6-18-13/h1-9,14,17-18H.
What are the key properties of 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine?
3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine has a molecular weight of 241.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(1H-pyrrol-2-yl)methyl]-5-fluoropyridine is sourced from PubChem (CID 171371811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).