3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine

C13H11BrClFN2 — CID 106875693

IUPAC3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccc(F)c(Cl)c2)c1Br
InChIInChI=1S/C13H11BrClFN2/c1-8-4-5-17-13(12(8)14)18-7-9-2-3-11(16)10(15)6-9/h2-6H,7H2,1H3,(H,17,18)
InChIKeyUDLUTSVBGBQTMU-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.56
Rot. Bonds3

About 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine

3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 106875693) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
PubChem CID106875693
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccc(F)c(Cl)c2)c1Br
InChIInChI=1S/C13H11BrClFN2/c1-8-4-5-17-13(12(8)14)18-7-9-2-3-11(16)10(15)6-9/h2-6H,7H2,1H3,(H,17,18)
InChIKeyUDLUTSVBGBQTMU-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
N-[(3-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 81144106
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
3-[(3-chloro-4-fluorophenyl)methylamino]pyrazine-2-carbothioamide
CID 62683624
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80803504
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene-1,3-diamine
CID 112647695

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine (CID 106875693) is 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine is Cc1ccnc(NCc2ccc(F)c(Cl)c2)c1Br.
What is the InChIKey of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is UDLUTSVBGBQTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-8-4-5-17-13(12(8)14)18-7-9-2-3-11(16)10(15)6-9/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine?
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 329.60 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 106875693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).