(1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine

C10H13BrClN3 — CID 164636941

IUPAC(1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESN[C@@H](CNc1ncc(Cl)cc1Br)C1CC1
InChIInChI=1S/C10H13BrClN3/c11-8-3-7(12)4-14-10(8)15-5-9(13)6-1-2-6/h3-4,6,9H,1-2,5,13H2,(H,14,15)/t9-/m0/s1
InChIKeyGAVLPPVZIOYCCR-VIFPVBQESA-N
MW290.59 g/mol
LogP2.65
Rot. Bonds4

About (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine

(1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 164636941) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
PubChem CID164636941
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC Name(1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESN[C@@H](CNc1ncc(Cl)cc1Br)C1CC1
InChIInChI=1S/C10H13BrClN3/c11-8-3-7(12)4-14-10(8)15-5-9(13)6-1-2-6/h3-4,6,9H,1-2,5,13H2,(H,14,15)/t9-/m0/s1
InChIKeyGAVLPPVZIOYCCR-VIFPVBQESA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (CID 164636941) is (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is N[C@@H](CNc1ncc(Cl)cc1Br)C1CC1.
What is the InChIKey of (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is GAVLPPVZIOYCCR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13BrClN3/c11-8-3-7(12)4-14-10(8)15-5-9(13)6-1-2-6/h3-4,6,9H,1-2,5,13H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
(1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 290.59 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-(3-bromo-5-chloro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 164636941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).