5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine

C14H13BrClFN2 — CID 114047952

IUPAC5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1Nc1cccc(CCCCl)c1
InChIInChI=1S/C14H13BrClFN2/c15-11-8-13(17)14(18-9-11)19-12-5-1-3-10(7-12)4-2-6-16/h1,3,5,7-9H,2,4,6H2,(H,18,19)
InChIKeyQKQRQVVLVOMGBF-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.90
Rot. Bonds5

About 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine

5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine (PubChem CID 114047952) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine
PubChem CID114047952
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1Nc1cccc(CCCCl)c1
InChIInChI=1S/C14H13BrClFN2/c15-11-8-13(17)14(18-9-11)19-12-5-1-3-10(7-12)4-2-6-16/h1,3,5,7-9H,2,4,6H2,(H,18,19)
InChIKeyQKQRQVVLVOMGBF-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
CID 105368776
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
5-chloro-4-[3-(3-chloropropyl)anilino]-1H-pyrimidin-6-one
CID 136972081
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026
N-[3-(3-aminopropyl)phenyl]-3-chloropyridin-2-amine
CID 113397967
N-[(4-chloro-3-fluorophenyl)methyl]-3-(3-chloropropyl)aniline
CID 107887554
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
N-[3-(3-chloropropyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363453
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
3-N-(3,5-difluoro-2-pyridinyl)benzene-1,3-diamine
CID 112675515
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine (CID 114047952) is 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine is Fc1cc(Br)cnc1Nc1cccc(CCCCl)c1.
What is the InChIKey of 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine?
The InChIKey is QKQRQVVLVOMGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c15-11-8-13(17)14(18-9-11)19-12-5-1-3-10(7-12)4-2-6-16/h1,3,5,7-9H,2,4,6H2,(H,18,19).
What are the key properties of 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine?
5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine has a molecular weight of 343.63 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 114047952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).