1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol

C14H12FN3O — CID 57307660

IUPAC1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol
SMILESCc1c(O)n(Nc2ccncc2F)c2ccccc12
InChIInChI=1S/C14H12FN3O/c1-9-10-4-2-3-5-13(10)18(14(9)19)17-12-6-7-16-8-11(12)15/h2-8,19H,1H3,(H,16,17)
InChIKeyOYKMBMFDZRMTDZ-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.06
Rot. Bonds2

About 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol

1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol (PubChem CID 57307660) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol
PubChem CID57307660
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol
SMILESCc1c(O)n(Nc2ccncc2F)c2ccccc12
InChIInChI=1S/C14H12FN3O/c1-9-10-4-2-3-5-13(10)18(14(9)19)17-12-6-7-16-8-11(12)15/h2-8,19H,1H3,(H,16,17)
InChIKeyOYKMBMFDZRMTDZ-UHFFFAOYSA-N
XLogP3.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135932346
3-[(E)-[3-[(E)-2-pyridin-3-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135985512
3-[(E)-(3-pyridin-4-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135988932
3-[(E)-[3-[(E)-2-pyridin-2-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988957
3-[(E)-(3-pyridin-3-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135989019
3-[(1-piperidinylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 135432715
3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol
CID 155569518
N-(3-Fluoro-4-pyridinyl)-3-methyl-1H-indol-1-amine
CID 9942843
2,5,6,7-tetradeuterio-N-(3-fluoro-4-pyridinyl)-3-(trideuteriomethyl)indol-1-amine
CID 122179746
[4-(3-butyl-2H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]methanol
CID 132458293
(3Z)-3-[(2,2-diphenylhydrazinyl)methylidene]-1-methyl-1,3-dihydro-2H-indol-2-one
CID 135432755
3-[(1H-indazol-6-ylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 135521769

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol?
The IUPAC name of 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol (CID 57307660) is 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol.
What is the SMILES notation for 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol?
The canonical SMILES for 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol is Cc1c(O)n(Nc2ccncc2F)c2ccccc12.
What is the InChIKey of 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol?
The InChIKey is OYKMBMFDZRMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-9-10-4-2-3-5-13(10)18(14(9)19)17-12-6-7-16-8-11(12)15/h2-8,19H,1H3,(H,16,17).
What are the key properties of 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol?
1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol has a molecular weight of 257.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-pyridinyl)amino]-3-methylindol-2-ol is sourced from PubChem (CID 57307660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).