4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol

C12H10ClFN2O — CID 113252113

IUPAC4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
SMILESOc1ccc(CNc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H10ClFN2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h1-5,7,17H,6H2,(H,15,16)
InChIKeyFDJJWODXDOWSGK-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.19
Rot. Bonds3

About 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol

4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol (PubChem CID 113252113) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
PubChem CID113252113
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
SMILESOc1ccc(CNc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H10ClFN2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h1-5,7,17H,6H2,(H,15,16)
InChIKeyFDJJWODXDOWSGK-UHFFFAOYSA-N
XLogP3.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]benzonitrile
CID 79727723
2-[4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenoxy]-N-methylacetamide
CID 86778558
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
CID 106196676
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
5-chloro-3-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyridin-2-amine
CID 114694684
5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 79728759

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol (CID 113252113) is 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol is Oc1ccc(CNc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol?
The InChIKey is FDJJWODXDOWSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h1-5,7,17H,6H2,(H,15,16).
What are the key properties of 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol?
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol has a molecular weight of 252.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 113252113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).