2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole

C38H30F2N4O — CID 67753418

IUPAC2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole
SMILESCOc1cnccc1Cc1ccc2c(c1)[nH]c1cc(F)ccc12.Cc1cnccc1Cc1ccc2c(c1)[nH]c1cc(F)ccc12
InChIInChI=1S/C19H15FN2O.C19H15FN2/c1-23-19-11-21-7-6-13(19)8-12-2-4-15-16-5-3-14(20)10-18(16)22-17(15)9-12;1-12-11-21-7-6-14(12)8-13-2-4-16-17-5-3-15(20)10-19(17)22-18(16)9-13/h2-7,9-11,22H,8H2,1H3;2-7,9-11,22H,8H2,1H3
InChIKeyFKXXKFLHUHSZJS-UHFFFAOYSA-N
MW596.68 g/mol
LogP9.21
Rot. Bonds5

About 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole

2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole (PubChem CID 67753418) has the molecular formula C38H30F2N4O and a molecular weight of 596.68 g/mol. Its IUPAC name is 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole.

Molecular Properties

Compound Name2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole
PubChem CID67753418
Molecular FormulaC38H30F2N4O
Molecular Weight596.68 g/mol
Exact Mass596.24
IUPAC Name2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole
SMILESCOc1cnccc1Cc1ccc2c(c1)[nH]c1cc(F)ccc12.Cc1cnccc1Cc1ccc2c(c1)[nH]c1cc(F)ccc12
InChIInChI=1S/C19H15FN2O.C19H15FN2/c1-23-19-11-21-7-6-13(19)8-12-2-4-15-16-5-3-14(20)10-18(16)22-17(15)9-12;1-12-11-21-7-6-14(12)8-13-2-4-16-17-5-3-15(20)10-19(17)22-18(16)9-13/h2-7,9-11,22H,8H2,1H3;2-7,9-11,22H,8H2,1H3
InChIKeyFKXXKFLHUHSZJS-UHFFFAOYSA-N
XLogP9.21
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.68
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole with MolForge

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Related Compounds

2-fluoro-7-(pyridin-3-ylmethyl)-9H-carbazole;2-fluoro-7-(pyridin-4-ylmethyl)-9H-carbazole
CID 67753277
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026
1-(5-fluoro-2-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065509
(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064925
3-methoxy-4-pentylpyridine
CID 170214218
4-(2,2-dimethylpropyl)-3-methoxypyridine
CID 59574628
5-[(4,5-dimethyl-3-pyridinyl)methyl]-2-methoxyphenol
CID 123389699
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698588
1-(2,4-difluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065529
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole?
The IUPAC name of 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole (CID 67753418) is 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole.
What is the SMILES notation for 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole?
The canonical SMILES for 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole is COc1cnccc1Cc1ccc2c(c1)[nH]c1cc(F)ccc12.Cc1cnccc1Cc1ccc2c(c1)[nH]c1cc(F)ccc12.
What is the InChIKey of 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole?
The InChIKey is FKXXKFLHUHSZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O.C19H15FN2/c1-23-19-11-21-7-6-13(19)8-12-2-4-15-16-5-3-14(20)10-18(16)22-17(15)9-12;1-12-11-21-7-6-14(12)8-13-2-4-16-17-5-3-15(20)10-19(17)22-18(16)9-13/h2-7,9-11,22H,8H2,1H3;2-7,9-11,22H,8H2,1H3.
What are the key properties of 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole?
2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole has a molecular weight of 596.68 g/mol, XLogP of 9.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-[(3-methoxy-4-pyridinyl)methyl]-9H-carbazole;2-fluoro-7-[(3-methyl-4-pyridinyl)methyl]-9H-carbazole is sourced from PubChem (CID 67753418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).