N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine

C10H14BrN3 — CID 62664309

IUPACN'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
SMILESBrc1cccnc1NCCNC1CC1
InChIInChI=1S/C10H14BrN3/c11-9-2-1-5-13-10(9)14-7-6-12-8-3-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14)
InChIKeyCVEZGSNSPPSNHV-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.01
Rot. Bonds5

About N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine

N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine (PubChem CID 62664309) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
PubChem CID62664309
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC NameN'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
SMILESBrc1cccnc1NCCNC1CC1
InChIInChI=1S/C10H14BrN3/c11-9-2-1-5-13-10(9)14-7-6-12-8-3-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14)
InChIKeyCVEZGSNSPPSNHV-UHFFFAOYSA-N
XLogP2.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromoisoquinolin-1-yl)-N-cyclopropylethane-1,2-diamine
CID 106540509
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61375423
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 62663057
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663
2-N-(3-bromo-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308213

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine (CID 62664309) is N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine is Brc1cccnc1NCCNC1CC1.
What is the InChIKey of N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine?
The InChIKey is CVEZGSNSPPSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c11-9-2-1-5-13-10(9)14-7-6-12-8-3-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14).
What are the key properties of N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine?
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine has a molecular weight of 256.15 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 62664309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).