6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol

C15H16F2N2O — CID 79781325

IUPAC6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol
SMILESCC(Cc1c(F)cccc1F)NCc1ccc(O)cn1
InChIInChI=1S/C15H16F2N2O/c1-10(7-13-14(16)3-2-4-15(13)17)18-8-11-5-6-12(20)9-19-11/h2-6,9-10,18,20H,7-8H2,1H3
InChIKeySKPFZAHHHAGUCX-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.79
Rot. Bonds5

About 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol

6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol (PubChem CID 79781325) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol
PubChem CID79781325
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol
SMILESCC(Cc1c(F)cccc1F)NCc1ccc(O)cn1
InChIInChI=1S/C15H16F2N2O/c1-10(7-13-14(16)3-2-4-15(13)17)18-8-11-5-6-12(20)9-19-11/h2-6,9-10,18,20H,7-8H2,1H3
InChIKeySKPFZAHHHAGUCX-UHFFFAOYSA-N
XLogP2.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
CID 79794471
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402421
6-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402144
6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
6-[(1-hydroxybutan-2-ylamino)methyl]pyridin-3-ol
CID 79776129
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol (CID 79781325) is 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol is CC(Cc1c(F)cccc1F)NCc1ccc(O)cn1.
What is the InChIKey of 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol?
The InChIKey is SKPFZAHHHAGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10(7-13-14(16)3-2-4-15(13)17)18-8-11-5-6-12(20)9-19-11/h2-6,9-10,18,20H,7-8H2,1H3.
What are the key properties of 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol?
6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol has a molecular weight of 278.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79781325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).