2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole

C36H26F2N4 — CID 67753277

IUPAC2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole
SMILESFc1ccc2c(c1)[nH]c1cc(Cc3cccnc3)ccc12.Fc1ccc2c(c1)[nH]c1cc(Cc3ccncc3)ccc12
InChIInChI=1S/2C18H13FN2/c19-14-2-4-16-15-3-1-13(9-12-5-7-20-8-6-12)10-17(15)21-18(16)11-14;19-14-4-6-16-15-5-3-12(8-13-2-1-7-20-11-13)9-17(15)21-18(16)10-14/h1-8,10-11,21H,9H2;1-7,9-11,21H,8H2
InChIKeyRUXJCNPKPSRJAF-UHFFFAOYSA-N
MW552.63 g/mol
LogP8.89
Rot. Bonds4

About 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole

2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole (PubChem CID 67753277) has the molecular formula C36H26F2N4 and a molecular weight of 552.63 g/mol. Its IUPAC name is 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole.

Molecular Properties

Compound Name2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole
PubChem CID67753277
Molecular FormulaC36H26F2N4
Molecular Weight552.63 g/mol
Exact Mass552.21
IUPAC Name2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole
SMILESFc1ccc2c(c1)[nH]c1cc(Cc3cccnc3)ccc12.Fc1ccc2c(c1)[nH]c1cc(Cc3ccncc3)ccc12
InChIInChI=1S/2C18H13FN2/c19-14-2-4-16-15-3-1-13(9-12-5-7-20-8-6-12)10-17(15)21-18(16)11-14;19-14-4-6-16-15-5-3-12(8-13-2-1-7-20-11-13)9-17(15)21-18(16)10-14/h1-8,10-11,21H,9H2;1-7,9-11,21H,8H2
InChIKeyRUXJCNPKPSRJAF-UHFFFAOYSA-N
XLogP8.89
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 58.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole
CID 67753418
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
ethyl formate;3-[(4-fluorophenyl)methyl]pyridine
CID 174527511
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
5-(pyridin-3-ylmethyl)-1H-indazol-3-amine
CID 68672103
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
1-(pyridin-3-ylmethyl)-9H-carbazole
CID 66606806

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole?
The IUPAC name of 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole (CID 67753277) is 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole.
What is the SMILES notation for 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole?
The canonical SMILES for 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole is Fc1ccc2c(c1)[nH]c1cc(Cc3cccnc3)ccc12.Fc1ccc2c(c1)[nH]c1cc(Cc3ccncc3)ccc12.
What is the InChIKey of 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole?
The InChIKey is RUXJCNPKPSRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13FN2/c19-14-2-4-16-15-3-1-13(9-12-5-7-20-8-6-12)10-17(15)21-18(16)11-14;19-14-4-6-16-15-5-3-12(8-13-2-1-7-20-11-13)9-17(15)21-18(16)10-14/h1-8,10-11,21H,9H2;1-7,9-11,21H,8H2.
What are the key properties of 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole?
2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole has a molecular weight of 552.63 g/mol, XLogP of 8.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole is sourced from PubChem (CID 67753277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).