N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine

C12H8F4N2 — CID 112675874

IUPACN-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
SMILESFc1cnc(NCc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C12H8F4N2/c13-8-1-2-10(15)7(3-8)5-17-12-11(16)4-9(14)6-18-12/h1-4,6H,5H2,(H,17,18)
InChIKeyUTIJAFGTHLMVMQ-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.25
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine

N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine (PubChem CID 112675874) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
PubChem CID112675874
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
SMILESFc1cnc(NCc2cc(F)ccc2F)c(F)c1
InChIInChI=1S/C12H8F4N2/c13-8-1-2-10(15)7(3-8)5-17-12-11(16)4-9(14)6-18-12/h1-4,6H,5H2,(H,17,18)
InChIKeyUTIJAFGTHLMVMQ-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983
3,5-difluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 114700865
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676213
4-N-[(2,5-difluorophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80846346
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
CID 63793401
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine (CID 112675874) is N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine is Fc1cnc(NCc2cc(F)ccc2F)c(F)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine?
The InChIKey is UTIJAFGTHLMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c13-8-1-2-10(15)7(3-8)5-17-12-11(16)4-9(14)6-18-12/h1-4,6H,5H2,(H,17,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine?
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine has a molecular weight of 256.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112675874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).