5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine

C14H13BrClFN2 — CID 103582511

IUPAC5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
SMILESCC(Cc1ccc(F)cc1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C14H13BrClFN2/c1-9(6-10-2-4-12(17)5-3-10)19-14-13(16)7-11(15)8-18-14/h2-5,7-9H,6H2,1H3,(H,18,19)
InChIKeyNZGDLNINHNFNDW-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.68
Rot. Bonds4

About 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine

5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine (PubChem CID 103582511) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
PubChem CID103582511
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
SMILESCC(Cc1ccc(F)cc1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C14H13BrClFN2/c1-9(6-10-2-4-12(17)5-3-10)19-14-13(16)7-11(15)8-18-14/h2-5,7-9H,6H2,1H3,(H,18,19)
InChIKeyNZGDLNINHNFNDW-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
3,5-dichloro-6-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpyridine-2,6-diamine
CID 102758087
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
5-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-2-hydrazinylpyrimidin-4-amine
CID 80913978
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
CID 107582160
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine (CID 103582511) is 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine is CC(Cc1ccc(F)cc1)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine?
The InChIKey is NZGDLNINHNFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-9(6-10-2-4-12(17)5-3-10)19-14-13(16)7-11(15)8-18-14/h2-5,7-9H,6H2,1H3,(H,18,19).
What are the key properties of 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine?
5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine has a molecular weight of 343.63 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 103582511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).