3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine

C12H8BrClF2N2 — CID 114835853

IUPAC3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ncc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C12H8BrClF2N2/c13-10-3-8(14)6-18-12(10)17-5-7-1-2-9(15)4-11(7)16/h1-4,6H,5H2,(H,17,18)
InChIKeyCQLZGUIVFYJNDT-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.39
Rot. Bonds3

About 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 114835853) has the molecular formula C12H8BrClF2N2 and a molecular weight of 333.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
PubChem CID114835853
Molecular FormulaC12H8BrClF2N2
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ncc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C12H8BrClF2N2/c13-10-3-8(14)6-18-12(10)17-5-7-1-2-9(15)4-11(7)16/h1-4,6H,5H2,(H,17,18)
InChIKeyCQLZGUIVFYJNDT-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796139
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
2-chloro-N-[(2,4-difluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 79073279
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
CID 43689253
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114835632
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine (CID 114835853) is 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2ncc(Cl)cc2Br)c(F)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is CQLZGUIVFYJNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2N2/c13-10-3-8(14)6-18-12(10)17-5-7-1-2-9(15)4-11(7)16/h1-4,6H,5H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 333.56 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114835853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).